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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-df3c2177/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-df3c2177/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -189.877308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.877308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.877308 (E_RNA)
where:
Base-Base interactions energy: -89.509
where: short stacking energy: -79.323
Base-Backbone interact. energy: -0.036
local terms energy: -100.331992
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -182.871043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.871043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.871043 (E_RNA)
where:
Base-Base interactions energy: -83.478
where: short stacking energy: -77.484
Base-Backbone interact. energy: -0.051
local terms energy: -99.342718
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -159.524099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.524099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.524099 (E_RNA)
where:
Base-Base interactions energy: -65.029
where: short stacking energy: -65.029
Base-Backbone interact. energy: -0.071
local terms energy: -94.424433
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -153.736169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.736169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.736169 (E_RNA)
where:
Base-Base interactions energy: -61.324
where: short stacking energy: -53.391
Base-Backbone interact. energy: 0.310
local terms energy: -92.721925
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -134.556721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.556721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.556721 (E_RNA)
where:
Base-Base interactions energy: -51.848
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.008
local terms energy: -82.701220
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -143.625879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.625879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.625879 (E_RNA)
where:
Base-Base interactions energy: -65.105
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.466
local terms energy: -78.055620
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -118.884723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.884723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.884723 (E_RNA)
where:
Base-Base interactions energy: -43.956
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.066
local terms energy: -74.862307
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -10.206
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -139.757707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.757707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.757707 (E_RNA)
where:
Base-Base interactions energy: -62.648
where: short stacking energy: -60.883
Base-Backbone interact. energy: -0.091
local terms energy: -77.018180
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -12.289
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -112.970114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.970114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.970114 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -110.799586
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -112.970114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.970114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.970114 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -110.799586
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -7.477
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -213.229694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.229694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.229694 (E_RNA)
where:
Base-Base interactions energy: -120.471
where: short stacking energy: -87.989
Base-Backbone interact. energy: -0.035
local terms energy: -92.723796
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -179.889757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.889757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.889757 (E_RNA)
where:
Base-Base interactions energy: -102.357
where: short stacking energy: -64.102
Base-Backbone interact. energy: -0.015
local terms energy: -77.517191
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -13.193
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: 3
Temperature: 1.000000
Total energy: -159.521857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.521857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.521857 (E_RNA)
where:
Base-Base interactions energy: -76.140
where: short stacking energy: -66.496
Base-Backbone interact. energy: -1.650
local terms energy: -81.731673
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -183.380762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.380762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.380762 (E_RNA)
where:
Base-Base interactions energy: -101.025
where: short stacking energy: -67.431
Base-Backbone interact. energy: 1.573
local terms energy: -83.929187
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -162.396133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.396133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.396133 (E_RNA)
where:
Base-Base interactions energy: -75.944
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.233
local terms energy: -86.219861
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -163.580765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.580765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.580765 (E_RNA)
where:
Base-Base interactions energy: -79.048
where: short stacking energy: -78.036
Base-Backbone interact. energy: 0.704
local terms energy: -85.237092
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -10.743
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -128.286115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.286115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.286115 (E_RNA)
where:
Base-Base interactions energy: -65.545
where: short stacking energy: -34.838
Base-Backbone interact. energy: 0.746
local terms energy: -63.486622
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -125.183788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.183788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.183788 (E_RNA)
where:
Base-Base interactions energy: -47.705
where: short stacking energy: -36.923
Base-Backbone interact. energy: -0.254
local terms energy: -77.224938
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -16.317
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -102.972966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.972966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.972966 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -31.988
Base-Backbone interact. energy: -0.169
local terms energy: -69.672139
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -110.568138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.568138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.568138 (E_RNA)
where:
Base-Base interactions energy: -52.690
where: short stacking energy: -26.756
Base-Backbone interact. energy: -0.156
local terms energy: -57.722260
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -220.787724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.787724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.787724 (E_RNA)
where:
Base-Base interactions energy: -118.687
where: short stacking energy: -82.544
Base-Backbone interact. energy: -0.031
local terms energy: -102.069538
where:
bonds (distance) C4'-P energy: -20.349
bonds (distance) P-C4' energy: -24.135
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -18.073
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: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -227.633206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.633206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.633206 (E_RNA)
where:
Base-Base interactions energy: -123.222
where: short stacking energy: -88.365
Base-Backbone interact. energy: -0.575
local terms energy: -103.836301
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -190.947837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.947837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.947837 (E_RNA)
where:
Base-Base interactions energy: -97.190
where: short stacking energy: -65.460
Base-Backbone interact. energy: -1.511
local terms energy: -92.246758
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -16.234
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: 4
Temperature: 1.050000
Total energy: -177.413413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.413413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.413413 (E_RNA)
where:
Base-Base interactions energy: -95.491
where: short stacking energy: -56.764
Base-Backbone interact. energy: -0.233
local terms energy: -81.689135
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -137.967342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.967342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.967342 (E_RNA)
where:
Base-Base interactions energy: -65.342
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.091
local terms energy: -72.534235
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -156.206042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.206042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.206042 (E_RNA)
where:
Base-Base interactions energy: -76.825
where: short stacking energy: -50.746
Base-Backbone interact. energy: -0.352
local terms energy: -79.028830
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -118.588007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.588007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.588007 (E_RNA)
where:
Base-Base interactions energy: -45.043
where: short stacking energy: -37.029
Base-Backbone interact. energy: -1.652
local terms energy: -71.893130
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -126.114011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.114011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.114011 (E_RNA)
where:
Base-Base interactions energy: -50.051
where: short stacking energy: -45.607
Base-Backbone interact. energy: 0.417
local terms energy: -76.480082
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -118.686415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.686415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.686415 (E_RNA)
where:
Base-Base interactions energy: -51.204
where: short stacking energy: -50.559
Base-Backbone interact. energy: 0.668
local terms energy: -68.149828
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -102.344214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.344214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.344214 (E_RNA)
where:
Base-Base interactions energy: -40.763
where: short stacking energy: -29.160
Base-Backbone interact. energy: -0.217
local terms energy: -61.363582
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -253.220832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.220832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.220832 (E_RNA)
where:
Base-Base interactions energy: -149.876
where: short stacking energy: -78.732
Base-Backbone interact. energy: -0.376
local terms energy: -102.968863
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -21.105
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: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -192.348735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.348735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.348735 (E_RNA)
where:
Base-Base interactions energy: -100.174
where: short stacking energy: -77.809
Base-Backbone interact. energy: 1.509
local terms energy: -93.683019
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -18.557
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: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -185.057893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.057893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.057893 (E_RNA)
where:
Base-Base interactions energy: -91.168
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.427
local terms energy: -93.462878
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -157.108133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.108133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.108133 (E_RNA)
where:
Base-Base interactions energy: -65.763
where: short stacking energy: -61.268
Base-Backbone interact. energy: -0.332
local terms energy: -91.013266
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -12.008
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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -170.231558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.231558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.231558 (E_RNA)
where:
Base-Base interactions energy: -87.844
where: short stacking energy: -52.898
Base-Backbone interact. energy: 1.688
local terms energy: -84.075652
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -161.553418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.553418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.553418 (E_RNA)
where:
Base-Base interactions energy: -78.104
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.147
local terms energy: -83.302502
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -127.032784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.032784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.032784 (E_RNA)
where:
Base-Base interactions energy: -53.238
where: short stacking energy: -33.483
Base-Backbone interact. energy: -0.363
local terms energy: -73.431842
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -126.249585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.249585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.249585 (E_RNA)
where:
Base-Base interactions energy: -63.029
where: short stacking energy: -51.931
Base-Backbone interact. energy: -0.219
local terms energy: -63.001484
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -150.658677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.658677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.658677 (E_RNA)
where:
Base-Base interactions energy: -89.708
where: short stacking energy: -47.438
Base-Backbone interact. energy: 0.933
local terms energy: -61.884136
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -97.449318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.449318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.449318 (E_RNA)
where:
Base-Base interactions energy: -36.557
where: short stacking energy: -32.678
Base-Backbone interact. energy: 0.796
local terms energy: -61.688192
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -4.848
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: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -255.000627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.000627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.000627 (E_RNA)
where:
Base-Base interactions energy: -143.074
where: short stacking energy: -97.935
Base-Backbone interact. energy: 0.120
local terms energy: -112.046630
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -28.626
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: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -171.381358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.381358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.381358 (E_RNA)
where:
Base-Base interactions energy: -79.996
where: short stacking energy: -66.232
Base-Backbone interact. energy: -0.349
local terms energy: -91.036426
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -178.923389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.923389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.923389 (E_RNA)
where:
Base-Base interactions energy: -93.405
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.515
local terms energy: -85.003758
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -15.030
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: 6
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -189.278368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.278368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.278368 (E_RNA)
where:
Base-Base interactions energy: -93.546
where: short stacking energy: -62.389
Base-Backbone interact. energy: -0.502
local terms energy: -95.230332
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -23.840
flat angles P-C4'-P energy: -14.514
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: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -158.755446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.755446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.755446 (E_RNA)
where:
Base-Base interactions energy: -82.836
where: short stacking energy: -59.874
Base-Backbone interact. energy: 1.751
local terms energy: -77.670128
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -161.375160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.375160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.375160 (E_RNA)
where:
Base-Base interactions energy: -83.924
where: short stacking energy: -49.680
Base-Backbone interact. energy: -1.375
local terms energy: -76.076516
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -201.335295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.335295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.335295 (E_RNA)
where:
Base-Base interactions energy: -114.419
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.141
local terms energy: -86.775573
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -116.794101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.794101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.794101 (E_RNA)
where:
Base-Base interactions energy: -57.163
where: short stacking energy: -33.069
Base-Backbone interact. energy: -0.702
local terms energy: -58.928932
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -103.760936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.760936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.760936 (E_RNA)
where:
Base-Base interactions energy: -44.255
where: short stacking energy: -31.575
Base-Backbone interact. energy: 0.261
local terms energy: -59.766567
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -106.713921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.713921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.713921 (E_RNA)
where:
Base-Base interactions energy: -35.751
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.254
local terms energy: -70.708574
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -242.682515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.682515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.682515 (E_RNA)
where:
Base-Base interactions energy: -136.504
where: short stacking energy: -82.805
Base-Backbone interact. energy: -0.085
local terms energy: -106.093417
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -202.542164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.542164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.542164 (E_RNA)
where:
Base-Base interactions energy: -122.691
where: short stacking energy: -76.922
Base-Backbone interact. energy: -0.233
local terms energy: -79.618136
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -176.507089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.507089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.507089 (E_RNA)
where:
Base-Base interactions energy: -85.174
where: short stacking energy: -71.941
Base-Backbone interact. energy: 0.019
local terms energy: -91.352248
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -18.605
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: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -185.740722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.740722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.740722 (E_RNA)
where:
Base-Base interactions energy: -97.623
where: short stacking energy: -67.094
Base-Backbone interact. energy: -0.033
local terms energy: -88.083784
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -156.291083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.291083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.291083 (E_RNA)
where:
Base-Base interactions energy: -90.801
where: short stacking energy: -46.238
Base-Backbone interact. energy: -0.507
local terms energy: -64.983492
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -200.669432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.669432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.669432 (E_RNA)
where:
Base-Base interactions energy: -110.600
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.098
local terms energy: -89.971453
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -17.574
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: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -155.999997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.999997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.999997 (E_RNA)
where:
Base-Base interactions energy: -83.906
where: short stacking energy: -55.355
Base-Backbone interact. energy: -1.418
local terms energy: -70.676640
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -115.715104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.715104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.715104 (E_RNA)
where:
Base-Base interactions energy: -46.584
where: short stacking energy: -44.882
Base-Backbone interact. energy: 1.064
local terms energy: -70.195111
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -8.663
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: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -116.214488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.214488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.214488 (E_RNA)
where:
Base-Base interactions energy: -44.383
where: short stacking energy: -35.311
Base-Backbone interact. energy: -1.464
local terms energy: -70.367309
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -111.347868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.347868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.347868 (E_RNA)
where:
Base-Base interactions energy: -65.542
where: short stacking energy: -31.203
Base-Backbone interact. energy: -0.352
local terms energy: -45.454656
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: 4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -249.586466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.586466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.586466 (E_RNA)
where:
Base-Base interactions energy: -144.212
where: short stacking energy: -84.728
Base-Backbone interact. energy: -0.275
local terms energy: -105.099812
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -206.696492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.696492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.696492 (E_RNA)
where:
Base-Base interactions energy: -117.289
where: short stacking energy: -74.527
Base-Backbone interact. energy: -0.155
local terms energy: -89.252381
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -9.715
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: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -194.904652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.904652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.904652 (E_RNA)
where:
Base-Base interactions energy: -107.614
where: short stacking energy: -57.998
Base-Backbone interact. energy: 0.468
local terms energy: -87.758925
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -151.393754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.393754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.393754 (E_RNA)
where:
Base-Base interactions energy: -67.199
where: short stacking energy: -49.336
Base-Backbone interact. energy: -0.595
local terms energy: -83.600177
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -215.687932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.687932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.687932 (E_RNA)
where:
Base-Base interactions energy: -128.134
where: short stacking energy: -74.917
Base-Backbone interact. energy: -1.713
local terms energy: -85.840740
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -153.545565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.545565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.545565 (E_RNA)
where:
Base-Base interactions energy: -82.415
where: short stacking energy: -52.809
Base-Backbone interact. energy: -1.042
local terms energy: -70.088642
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -5.959
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: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -166.742235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.742235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.742235 (E_RNA)
where:
Base-Base interactions energy: -88.818
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.772
local terms energy: -77.152397
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -121.761290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.761290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.761290 (E_RNA)
where:
Base-Base interactions energy: -52.741
where: short stacking energy: -38.475
Base-Backbone interact. energy: 1.401
local terms energy: -70.421151
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -125.026852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.026852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.026852 (E_RNA)
where:
Base-Base interactions energy: -45.152
where: short stacking energy: -42.333
Base-Backbone interact. energy: -0.085
local terms energy: -79.789540
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -110.483626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.483626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.483626 (E_RNA)
where:
Base-Base interactions energy: -46.683
where: short stacking energy: -36.272
Base-Backbone interact. energy: -0.217
local terms energy: -63.583135
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -269.305654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.305654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.305654 (E_RNA)
where:
Base-Base interactions energy: -162.804
where: short stacking energy: -85.801
Base-Backbone interact. energy: 0.768
local terms energy: -107.268923
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -221.631307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.631307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.631307 (E_RNA)
where:
Base-Base interactions energy: -143.707
where: short stacking energy: -56.368
Base-Backbone interact. energy: 0.364
local terms energy: -78.288934
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -200.006646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.006646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.006646 (E_RNA)
where:
Base-Base interactions energy: -116.687
where: short stacking energy: -73.137
Base-Backbone interact. energy: -0.428
local terms energy: -82.891827
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -228.182518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.182518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.182518 (E_RNA)
where:
Base-Base interactions energy: -135.392
where: short stacking energy: -65.398
Base-Backbone interact. energy: -0.192
local terms energy: -92.597944
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -19.421
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: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -167.781734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.781734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.781734 (E_RNA)
where:
Base-Base interactions energy: -85.302
where: short stacking energy: -48.051
Base-Backbone interact. energy: -0.761
local terms energy: -81.718199
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -172.538207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.538207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.538207 (E_RNA)
where:
Base-Base interactions energy: -90.837
where: short stacking energy: -63.502
Base-Backbone interact. energy: 0.745
local terms energy: -82.445517
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -8.308
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: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -151.904595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.904595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.904595 (E_RNA)
where:
Base-Base interactions energy: -74.457
where: short stacking energy: -43.045
Base-Backbone interact. energy: -0.396
local terms energy: -77.050975
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -4.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -141.267546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.267546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.267546 (E_RNA)
where:
Base-Base interactions energy: -69.316
where: short stacking energy: -45.349
Base-Backbone interact. energy: -0.084
local terms energy: -71.867309
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -4.349
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: 9
Temperature: 1.300000
Total energy: -112.473834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.473834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.473834 (E_RNA)
where:
Base-Base interactions energy: -63.451
where: short stacking energy: -32.916
Base-Backbone interact. energy: 0.790
local terms energy: -49.812681
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -99.536546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.536546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.536546 (E_RNA)
where:
Base-Base interactions energy: -35.576
where: short stacking energy: -30.016
Base-Backbone interact. energy: 0.646
local terms energy: -64.606547
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: 3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -295.023427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.023427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.023427 (E_RNA)
where:
Base-Base interactions energy: -185.432
where: short stacking energy: -104.319
Base-Backbone interact. energy: -0.594
local terms energy: -108.996606
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -28.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -229.036827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.036827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.036827 (E_RNA)
where:
Base-Base interactions energy: -148.950
where: short stacking energy: -61.296
Base-Backbone interact. energy: -1.395
local terms energy: -78.691671
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -10.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -230.890683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.890683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.890683 (E_RNA)
where:
Base-Base interactions energy: -143.853
where: short stacking energy: -57.351
Base-Backbone interact. energy: -0.082
local terms energy: -86.956057
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -194.492173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.492173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.492173 (E_RNA)
where:
Base-Base interactions energy: -111.894
where: short stacking energy: -68.982
Base-Backbone interact. energy: 0.020
local terms energy: -82.618542
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -190.681457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.681457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.681457 (E_RNA)
where:
Base-Base interactions energy: -97.882
where: short stacking energy: -66.482
Base-Backbone interact. energy: -0.160
local terms energy: -92.639579
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -21.481
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: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -168.539223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.539223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.539223 (E_RNA)
where:
Base-Base interactions energy: -91.092
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.681
local terms energy: -76.766540
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -8.347
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: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -133.596355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.596355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.596355 (E_RNA)
where:
Base-Base interactions energy: -56.572
where: short stacking energy: -45.507
Base-Backbone interact. energy: 0.422
local terms energy: -77.446691
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -172.534962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.534962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.534962 (E_RNA)
where:
Base-Base interactions energy: -84.298
where: short stacking energy: -50.520
Base-Backbone interact. energy: -0.111
local terms energy: -88.125986
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -111.192918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.192918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.192918 (E_RNA)
where:
Base-Base interactions energy: -46.160
where: short stacking energy: -32.738
Base-Backbone interact. energy: 0.320
local terms energy: -65.352988
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: 2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -99.633966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.633966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.633966 (E_RNA)
where:
Base-Base interactions energy: -31.726
where: short stacking energy: -30.769
Base-Backbone interact. energy: -0.243
local terms energy: -67.665090
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -284.642199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.642199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.642199 (E_RNA)
where:
Base-Base interactions energy: -176.592
where: short stacking energy: -98.306
Base-Backbone interact. energy: -0.753
local terms energy: -107.297057
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -29.177
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: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -267.463441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.463441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.463441 (E_RNA)
where:
Base-Base interactions energy: -163.027
where: short stacking energy: -82.222
Base-Backbone interact. energy: -0.337
local terms energy: -104.099154
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -199.912125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.912125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.912125 (E_RNA)
where:
Base-Base interactions energy: -112.890
where: short stacking energy: -53.261
Base-Backbone interact. energy: -0.344
local terms energy: -86.678129
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -201.926877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.926877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.926877 (E_RNA)
where:
Base-Base interactions energy: -113.866
where: short stacking energy: -83.707
Base-Backbone interact. energy: -0.204
local terms energy: -87.857375
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -16.856
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: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -196.552579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.552579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.552579 (E_RNA)
where:
Base-Base interactions energy: -110.821
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.119
local terms energy: -85.611925
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -138.731170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.731170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.731170 (E_RNA)
where:
Base-Base interactions energy: -61.427
where: short stacking energy: -45.491
Base-Backbone interact. energy: -0.396
local terms energy: -76.908381
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -150.522327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.522327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.522327 (E_RNA)
where:
Base-Base interactions energy: -80.220
where: short stacking energy: -58.667
Base-Backbone interact. energy: -0.019
local terms energy: -70.283152
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -11.862
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: 2
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -144.452576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.452576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.452576 (E_RNA)
where:
Base-Base interactions energy: -69.496
where: short stacking energy: -38.683
Base-Backbone interact. energy: 0.137
local terms energy: -75.093365
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -109.415754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.415754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.415754 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -37.461
Base-Backbone interact. energy: 0.610
local terms energy: -69.747481
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -4.620
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: 11
Temperature: 1.350000
Total energy: -117.421714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.421714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.421714 (E_RNA)
where:
Base-Base interactions energy: -57.073
where: short stacking energy: -49.901
Base-Backbone interact. energy: -0.352
local terms energy: -59.996510
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -287.171703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.171703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.171703 (E_RNA)
where:
Base-Base interactions energy: -177.309
where: short stacking energy: -97.892
Base-Backbone interact. energy: -0.018
local terms energy: -109.844820
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -27.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -277.254557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.254557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.254557 (E_RNA)
where:
Base-Base interactions energy: -173.917
where: short stacking energy: -90.721
Base-Backbone interact. energy: -0.284
local terms energy: -103.053173
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -27.810
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: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -186.046414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.046414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.046414 (E_RNA)
where:
Base-Base interactions energy: -92.821
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.063
local terms energy: -93.162348
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -10.265
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: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -204.095780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.095780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.095780 (E_RNA)
where:
Base-Base interactions energy: -110.172
where: short stacking energy: -76.482
Base-Backbone interact. energy: -1.040
local terms energy: -92.883581
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -17.622
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: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -199.166333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.166333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.166333 (E_RNA)
where:
Base-Base interactions energy: -115.360
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.477
local terms energy: -83.329297
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -131.849564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.849564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.849564 (E_RNA)
where:
Base-Base interactions energy: -53.304
where: short stacking energy: -51.895
Base-Backbone interact. energy: -0.553
local terms energy: -77.992333
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -124.964559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.964559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.964559 (E_RNA)
where:
Base-Base interactions energy: -57.530
where: short stacking energy: -33.697
Base-Backbone interact. energy: -0.964
local terms energy: -66.470139
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -10.332
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: 8, replica: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -120.286339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.286339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.286339 (E_RNA)
where:
Base-Base interactions energy: -54.431
where: short stacking energy: -34.901
Base-Backbone interact. energy: -0.239
local terms energy: -65.616065
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -113.244996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.244996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.244996 (E_RNA)
where:
Base-Base interactions energy: -49.358
where: short stacking energy: -30.285
Base-Backbone interact. energy: -0.440
local terms energy: -63.446770
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: 2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -105.579486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.579486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.579486 (E_RNA)
where:
Base-Base interactions energy: -45.263
where: short stacking energy: -36.953
Base-Backbone interact. energy: 2.917
local terms energy: -63.233667
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: 1.284
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -288.244401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.244401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.244401 (E_RNA)
where:
Base-Base interactions energy: -183.876
where: short stacking energy: -93.441
Base-Backbone interact. energy: -0.945
local terms energy: -103.423736
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -29.890
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: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -273.910020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.910020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.910020 (E_RNA)
where:
Base-Base interactions energy: -175.230
where: short stacking energy: -85.054
Base-Backbone interact. energy: -0.125
local terms energy: -98.555766
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -25.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -211.140313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.140313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.140313 (E_RNA)
where:
Base-Base interactions energy: -125.733
where: short stacking energy: -65.004
Base-Backbone interact. energy: -1.251
local terms energy: -84.156512
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -195.733495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.733495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.733495 (E_RNA)
where:
Base-Base interactions energy: -128.114
where: short stacking energy: -59.747
Base-Backbone interact. energy: 3.930
local terms energy: -71.549565
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -9.839
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: 13
Temperature: 1.100000
Total energy: -190.011240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.011240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.011240 (E_RNA)
where:
Base-Base interactions energy: -103.659
where: short stacking energy: -63.846
Base-Backbone interact. energy: -0.274
local terms energy: -86.077474
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -155.183957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.183957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.183957 (E_RNA)
where:
Base-Base interactions energy: -82.279
where: short stacking energy: -43.961
Base-Backbone interact. energy: 0.570
local terms energy: -73.474758
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -114.325043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.325043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.325043 (E_RNA)
where:
Base-Base interactions energy: -48.999
where: short stacking energy: -45.643
Base-Backbone interact. energy: 0.199
local terms energy: -65.525125
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.248
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: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -110.638835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.638835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.638835 (E_RNA)
where:
Base-Base interactions energy: -36.791
where: short stacking energy: -25.919
Base-Backbone interact. energy: -1.448
local terms energy: -72.399155
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -1.626
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: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -105.759915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.759915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.759915 (E_RNA)
where:
Base-Base interactions energy: -34.020
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.129
local terms energy: -71.610306
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -2.174
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -112.237413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.237413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.237413 (E_RNA)
where:
Base-Base interactions energy: -62.648
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.222
local terms energy: -49.367246
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -1.028
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: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -289.512319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.512319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.512319 (E_RNA)
where:
Base-Base interactions energy: -183.796
where: short stacking energy: -106.102
Base-Backbone interact. energy: -0.611
local terms energy: -105.104586
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -17.550
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: 2, replica: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -273.636721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.636721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.636721 (E_RNA)
where:
Base-Base interactions energy: -171.054
where: short stacking energy: -89.510
Base-Backbone interact. energy: -0.216
local terms energy: -102.366378
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -23.952
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -224.623914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.623914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.623914 (E_RNA)
where:
Base-Base interactions energy: -134.373
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.050
local terms energy: -90.201561
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -198.811221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.811221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.811221 (E_RNA)
where:
Base-Base interactions energy: -108.361
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.499
local terms energy: -89.950503
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -15.383
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: 14
Temperature: 1.100000
Total energy: -182.746993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.746993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.746993 (E_RNA)
where:
Base-Base interactions energy: -106.634
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.013
local terms energy: -76.100303
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -11.923
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: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -132.687652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.687652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.687652 (E_RNA)
where:
Base-Base interactions energy: -67.287
where: short stacking energy: -63.566
Base-Backbone interact. energy: 0.588
local terms energy: -65.988485
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -131.105729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.105729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.105729 (E_RNA)
where:
Base-Base interactions energy: -52.927
where: short stacking energy: -49.811
Base-Backbone interact. energy: -0.061
local terms energy: -78.117989
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -113.604769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.604769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.604769 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -33.031
Base-Backbone interact. energy: -0.433
local terms energy: -76.727882
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -116.272572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.272572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.272572 (E_RNA)
where:
Base-Base interactions energy: -49.927
where: short stacking energy: -30.059
Base-Backbone interact. energy: -0.524
local terms energy: -65.822211
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -116.224812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.224812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.224812 (E_RNA)
where:
Base-Base interactions energy: -48.619
where: short stacking energy: -37.330
Base-Backbone interact. energy: 2.990
local terms energy: -70.595492
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -9.991
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: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -294.801250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.801250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.801250 (E_RNA)
where:
Base-Base interactions energy: -192.569
where: short stacking energy: -98.563
Base-Backbone interact. energy: 1.156
local terms energy: -103.387674
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -24.590
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: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -272.494019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.494019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.494019 (E_RNA)
where:
Base-Base interactions energy: -172.854
where: short stacking energy: -91.408
Base-Backbone interact. energy: -0.867
local terms energy: -98.772546
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -13.396
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: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -229.948141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.948141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.948141 (E_RNA)
where:
Base-Base interactions energy: -145.787
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.134
local terms energy: -84.026481
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -13.872
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: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -219.156020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.156020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.156020 (E_RNA)
where:
Base-Base interactions energy: -133.285
where: short stacking energy: -61.459
Base-Backbone interact. energy: -1.218
local terms energy: -84.653763
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -13.188
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: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -230.476298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.476298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.476298 (E_RNA)
where:
Base-Base interactions energy: -140.798
where: short stacking energy: -80.739
Base-Backbone interact. energy: -0.110
local terms energy: -89.567985
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -22.734
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: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -130.219014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.219014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.219014 (E_RNA)
where:
Base-Base interactions energy: -59.423
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.174
local terms energy: -70.622953
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -11.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -121.216711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.216711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.216711 (E_RNA)
where:
Base-Base interactions energy: -48.392
where: short stacking energy: -43.268
Base-Backbone interact. energy: 5.015
local terms energy: -77.839825
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -13.566
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: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -147.517198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.517198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.517198 (E_RNA)
where:
Base-Base interactions energy: -80.193
where: short stacking energy: -55.890
Base-Backbone interact. energy: 0.431
local terms energy: -67.754828
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -9.113
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: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -111.502333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.502333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.502333 (E_RNA)
where:
Base-Base interactions energy: -38.327
where: short stacking energy: -31.596
Base-Backbone interact. energy: -0.300
local terms energy: -72.875519
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -105.440003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.440003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.440003 (E_RNA)
where:
Base-Base interactions energy: -34.637
where: short stacking energy: -34.637
Base-Backbone interact. energy: -0.241
local terms energy: -70.561649
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -298.033347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.033347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.033347 (E_RNA)
where:
Base-Base interactions energy: -193.106
where: short stacking energy: -98.242
Base-Backbone interact. energy: -0.014
local terms energy: -104.913099
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -21.858
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: 10
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -260.477573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.477573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.477573 (E_RNA)
where:
Base-Base interactions energy: -160.723
where: short stacking energy: -86.757
Base-Backbone interact. energy: -0.979
local terms energy: -98.775184
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -23.089
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -19.410
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: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -218.688099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.688099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.688099 (E_RNA)
where:
Base-Base interactions energy: -123.862
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.155
local terms energy: -94.671653
where:
bonds (distance) C4'-P energy: -24.239
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -209.833303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.833303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.833303 (E_RNA)
where:
Base-Base interactions energy: -121.682
where: short stacking energy: -70.923
Base-Backbone interact. energy: -0.016
local terms energy: -88.134763
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -10.949
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: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -233.381086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.381086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.381086 (E_RNA)
where:
Base-Base interactions energy: -144.623
where: short stacking energy: -79.851
Base-Backbone interact. energy: -0.082
local terms energy: -88.676980
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -132.764136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.764136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.764136 (E_RNA)
where:
Base-Base interactions energy: -59.234
where: short stacking energy: -56.378
Base-Backbone interact. energy: -0.141
local terms energy: -73.388595
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -140.780657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.780657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.780657 (E_RNA)
where:
Base-Base interactions energy: -68.665
where: short stacking energy: -53.800
Base-Backbone interact. energy: -2.838
local terms energy: -69.277931
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -6.136
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: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -129.746877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.746877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.746877 (E_RNA)
where:
Base-Base interactions energy: -66.520
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.309
local terms energy: -62.917088
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -101.545515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.545515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.545515 (E_RNA)
where:
Base-Base interactions energy: -36.217
where: short stacking energy: -35.454
Base-Backbone interact. energy: -0.374
local terms energy: -64.954486
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -5.484
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: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -100.621676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.621676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.621676 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -33.247
Base-Backbone interact. energy: 0.488
local terms energy: -68.231534
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -281.937103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.937103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.937103 (E_RNA)
where:
Base-Base interactions energy: -180.266
where: short stacking energy: -96.511
Base-Backbone interact. energy: -0.001
local terms energy: -101.669638
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -22.882
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: 2, replica: 10
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -267.181465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.181465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.181465 (E_RNA)
where:
Base-Base interactions energy: -176.775
where: short stacking energy: -97.317
Base-Backbone interact. energy: -0.096
local terms energy: -90.310485
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -215.070393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.070393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.070393 (E_RNA)
where:
Base-Base interactions energy: -127.271
where: short stacking energy: -73.038
Base-Backbone interact. energy: -1.878
local terms energy: -85.921931
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -3.267
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: 17
Temperature: 1.050000
Total energy: -226.281601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.281601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.281601 (E_RNA)
where:
Base-Base interactions energy: -133.426
where: short stacking energy: -77.134
Base-Backbone interact. energy: -0.617
local terms energy: -92.238760
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -198.330567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.330567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.330567 (E_RNA)
where:
Base-Base interactions energy: -107.782
where: short stacking energy: -65.878
Base-Backbone interact. energy: -0.146
local terms energy: -90.402467
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -14.380
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: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -166.795394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.795394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.795394 (E_RNA)
where:
Base-Base interactions energy: -88.323
where: short stacking energy: -54.455
Base-Backbone interact. energy: 1.025
local terms energy: -79.497655
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -15.794
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: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -118.367829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.367829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.367829 (E_RNA)
where:
Base-Base interactions energy: -52.909
where: short stacking energy: -41.761
Base-Backbone interact. energy: -0.271
local terms energy: -65.188058
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -137.419142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.419142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.419142 (E_RNA)
where:
Base-Base interactions energy: -62.285
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.362
local terms energy: -74.772754
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -114.029720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.029720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.029720 (E_RNA)
where:
Base-Base interactions energy: -45.616
where: short stacking energy: -45.386
Base-Backbone interact. energy: 0.036
local terms energy: -68.449576
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -4.833
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: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -121.772810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.772810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.772810 (E_RNA)
where:
Base-Base interactions energy: -63.301
where: short stacking energy: -33.901
Base-Backbone interact. energy: 1.429
local terms energy: -59.900677
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -276.723007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.723007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.723007 (E_RNA)
where:
Base-Base interactions energy: -181.356
where: short stacking energy: -92.926
Base-Backbone interact. energy: -1.178
local terms energy: -94.188710
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -26.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -285.949273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.949273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.949273 (E_RNA)
where:
Base-Base interactions energy: -181.441
where: short stacking energy: -97.022
Base-Backbone interact. energy: 0.829
local terms energy: -105.336918
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -27.456
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: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -248.802629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.802629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.802629 (E_RNA)
where:
Base-Base interactions energy: -159.752
where: short stacking energy: -79.655
Base-Backbone interact. energy: -0.002
local terms energy: -89.048113
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -224.355497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.355497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.355497 (E_RNA)
where:
Base-Base interactions energy: -142.841
where: short stacking energy: -72.992
Base-Backbone interact. energy: -0.421
local terms energy: -81.092867
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -18.555
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: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -182.853253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.853253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.853253 (E_RNA)
where:
Base-Base interactions energy: -105.542
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.521
local terms energy: -76.790378
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -6.289
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: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -173.639020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.639020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.639020 (E_RNA)
where:
Base-Base interactions energy: -86.354
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.121
local terms energy: -87.163559
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -133.095406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.095406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.095406 (E_RNA)
where:
Base-Base interactions energy: -58.360
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.497
local terms energy: -74.238456
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -11.975
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: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -128.332002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.332002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.332002 (E_RNA)
where:
Base-Base interactions energy: -47.720
where: short stacking energy: -45.557
Base-Backbone interact. energy: -0.568
local terms energy: -80.044292
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -111.391871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.391871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.391871 (E_RNA)
where:
Base-Base interactions energy: -52.941
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.347
local terms energy: -58.104225
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: 6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -98.802717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.802717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.802717 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -36.249
Base-Backbone interact. energy: -0.173
local terms energy: -61.756673
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -264.365953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.365953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.365953 (E_RNA)
where:
Base-Base interactions energy: -170.476
where: short stacking energy: -79.830
Base-Backbone interact. energy: -0.635
local terms energy: -93.254333
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -12.154
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: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -262.697138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.697138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.697138 (E_RNA)
where:
Base-Base interactions energy: -157.276
where: short stacking energy: -74.707
Base-Backbone interact. energy: -0.407
local terms energy: -105.014648
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -23.555
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -26.398
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: 19
Temperature: 1.000000
Total energy: -276.936144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.936144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.936144 (E_RNA)
where:
Base-Base interactions energy: -176.580
where: short stacking energy: -94.232
Base-Backbone interact. energy: -0.615
local terms energy: -99.741803
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -24.938
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: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -240.253111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.253111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.253111 (E_RNA)
where:
Base-Base interactions energy: -151.020
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.385
local terms energy: -88.847446
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -10.421
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: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -228.370599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.370599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.370599 (E_RNA)
where:
Base-Base interactions energy: -146.424
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.638
local terms energy: -81.308825
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -7.355
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: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -163.655358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.655358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.655358 (E_RNA)
where:
Base-Base interactions energy: -90.462
where: short stacking energy: -62.376
Base-Backbone interact. energy: 0.144
local terms energy: -73.337377
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -4.647
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: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -124.270309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.270309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.270309 (E_RNA)
where:
Base-Base interactions energy: -49.902
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.308
local terms energy: -74.060847
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -120.136777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.136777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.136777 (E_RNA)
where:
Base-Base interactions energy: -64.112
where: short stacking energy: -44.976
Base-Backbone interact. energy: -0.093
local terms energy: -55.931839
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -120.945233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.945233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.945233 (E_RNA)
where:
Base-Base interactions energy: -41.139
where: short stacking energy: -40.602
Base-Backbone interact. energy: -0.008
local terms energy: -79.798279
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.531
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: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -92.730262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.730262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.730262 (E_RNA)
where:
Base-Base interactions energy: -39.179
where: short stacking energy: -25.785
Base-Backbone interact. energy: 0.133
local terms energy: -53.683616
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: 2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -275.039243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.039243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.039243 (E_RNA)
where:
Base-Base interactions energy: -176.737
where: short stacking energy: -96.847
Base-Backbone interact. energy: 0.170
local terms energy: -98.472157
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -24.166
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: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -260.762033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.762033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.762033 (E_RNA)
where:
Base-Base interactions energy: -166.957
where: short stacking energy: -81.720
Base-Backbone interact. energy: -0.995
local terms energy: -92.810244
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -15.968
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: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -281.880349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.880349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.880349 (E_RNA)
where:
Base-Base interactions energy: -176.782
where: short stacking energy: -99.998
Base-Backbone interact. energy: -0.723
local terms energy: -104.375607
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -26.275
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: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -230.092051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.092051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.092051 (E_RNA)
where:
Base-Base interactions energy: -128.418
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.412
local terms energy: -101.262500
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -22.143
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: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -238.694584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.694584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.694584 (E_RNA)
where:
Base-Base interactions energy: -145.631
where: short stacking energy: -77.633
Base-Backbone interact. energy: 1.652
local terms energy: -94.716489
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -172.984616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.984616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.984616 (E_RNA)
where:
Base-Base interactions energy: -99.009
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.943
local terms energy: -73.032197
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -4.180
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: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -106.570706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.570706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.570706 (E_RNA)
where:
Base-Base interactions energy: -45.599
where: short stacking energy: -41.896
Base-Backbone interact. energy: -0.345
local terms energy: -60.626481
where:
bonds (distance) C4'-P energy: -7.001
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -6.024
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: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -119.918905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.918905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.918905 (E_RNA)
where:
Base-Base interactions energy: -56.182
where: short stacking energy: -43.544
Base-Backbone interact. energy: -0.311
local terms energy: -63.425393
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -15.752
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: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -103.712178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.712178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.712178 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -37.147
Base-Backbone interact. energy: -0.503
local terms energy: -65.222456
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -106.821131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.821131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.821131 (E_RNA)
where:
Base-Base interactions energy: -41.791
where: short stacking energy: -32.100
Base-Backbone interact. energy: -0.213
local terms energy: -64.818075
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -1.963
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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -275.090863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.090863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.090863 (E_RNA)
where:
Base-Base interactions energy: -173.182
where: short stacking energy: -88.137
Base-Backbone interact. energy: -0.860
local terms energy: -101.049319
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -25.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -283.168977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.168977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.168977 (E_RNA)
where:
Base-Base interactions energy: -181.220
where: short stacking energy: -98.964
Base-Backbone interact. energy: -0.046
local terms energy: -101.903005
where:
bonds (distance) C4'-P energy: -22.295
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -25.400
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: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -271.767862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.767862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.767862 (E_RNA)
where:
Base-Base interactions energy: -162.355
where: short stacking energy: -92.395
Base-Backbone interact. energy: -0.065
local terms energy: -109.347529
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -252.408252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.408252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.408252 (E_RNA)
where:
Base-Base interactions energy: -153.708
where: short stacking energy: -77.497
Base-Backbone interact. energy: -2.125
local terms energy: -96.575588
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -16.923
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: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -231.793885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.793885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.793885 (E_RNA)
where:
Base-Base interactions energy: -147.724
where: short stacking energy: -67.783
Base-Backbone interact. energy: -0.131
local terms energy: -83.939525
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -17.143
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: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -201.450924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.450924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.450924 (E_RNA)
where:
Base-Base interactions energy: -116.643
where: short stacking energy: -72.891
Base-Backbone interact. energy: -1.203
local terms energy: -83.604708
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -122.481576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.481576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.481576 (E_RNA)
where:
Base-Base interactions energy: -51.685
where: short stacking energy: -37.014
Base-Backbone interact. energy: -0.248
local terms energy: -70.548862
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -24.092
flat angles P-C4'-P energy: -10.341
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: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -127.874762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.874762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.874762 (E_RNA)
where:
Base-Base interactions energy: -59.514
where: short stacking energy: -46.434
Base-Backbone interact. energy: -0.006
local terms energy: -68.354645
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.049
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: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -118.351367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.351367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.351367 (E_RNA)
where:
Base-Base interactions energy: -51.384
where: short stacking energy: -38.899
Base-Backbone interact. energy: -0.133
local terms energy: -66.833849
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -6.831
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: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -101.352769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.352769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.352769 (E_RNA)
where:
Base-Base interactions energy: -39.646
where: short stacking energy: -36.769
Base-Backbone interact. energy: -0.116
local terms energy: -61.590027
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -280.091343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.091343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.091343 (E_RNA)
where:
Base-Base interactions energy: -177.652
where: short stacking energy: -76.802
Base-Backbone interact. energy: -0.285
local terms energy: -102.153791
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -12.218
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -278.719200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.719200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.719200 (E_RNA)
where:
Base-Base interactions energy: -172.614
where: short stacking energy: -93.700
Base-Backbone interact. energy: -0.663
local terms energy: -105.442043
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -25.296
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: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -261.604481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.604481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.604481 (E_RNA)
where:
Base-Base interactions energy: -173.205
where: short stacking energy: -78.835
Base-Backbone interact. energy: -0.102
local terms energy: -88.297281
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -23.971
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: 22
Temperature: 1.050000
Total energy: -210.961784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.961784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.961784 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -64.215
Base-Backbone interact. energy: 0.286
local terms energy: -79.909632
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -223.453098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.453098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.453098 (E_RNA)
where:
Base-Base interactions energy: -134.232
where: short stacking energy: -74.413
Base-Backbone interact. energy: -0.106
local terms energy: -89.114780
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -169.139510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.139510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.139510 (E_RNA)
where:
Base-Base interactions energy: -90.330
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.470
local terms energy: -78.338865
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -11.641
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: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -130.567107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.567107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.567107 (E_RNA)
where:
Base-Base interactions energy: -57.996
where: short stacking energy: -47.776
Base-Backbone interact. energy: -0.276
local terms energy: -72.295821
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -116.588348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.588348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.588348 (E_RNA)
where:
Base-Base interactions energy: -44.585
where: short stacking energy: -41.539
Base-Backbone interact. energy: -0.090
local terms energy: -71.913569
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -111.936064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.936064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.936064 (E_RNA)
where:
Base-Base interactions energy: -37.606
where: short stacking energy: -31.371
Base-Backbone interact. energy: -0.618
local terms energy: -73.712341
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -98.924216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.924216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.924216 (E_RNA)
where:
Base-Base interactions energy: -32.971
where: short stacking energy: -26.384
Base-Backbone interact. energy: -0.297
local terms energy: -65.655938
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -10.606
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: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -262.280103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.280103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.280103 (E_RNA)
where:
Base-Base interactions energy: -153.969
where: short stacking energy: -95.757
Base-Backbone interact. energy: -0.188
local terms energy: -108.122845
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -24.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -283.124996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.124996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.124996 (E_RNA)
where:
Base-Base interactions energy: -184.194
where: short stacking energy: -99.149
Base-Backbone interact. energy: -0.241
local terms energy: -98.689874
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -24.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -271.151863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.151863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.151863 (E_RNA)
where:
Base-Base interactions energy: -168.584
where: short stacking energy: -86.620
Base-Backbone interact. energy: -1.767
local terms energy: -100.801263
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -230.999895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.999895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999895 (E_RNA)
where:
Base-Base interactions energy: -136.435
where: short stacking energy: -71.601
Base-Backbone interact. energy: -0.266
local terms energy: -94.299472
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -215.995896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.995896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.995896 (E_RNA)
where:
Base-Base interactions energy: -126.372
where: short stacking energy: -60.000
Base-Backbone interact. energy: 0.409
local terms energy: -90.033599
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -12.513
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: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -153.236296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.236296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.236296 (E_RNA)
where:
Base-Base interactions energy: -72.932
where: short stacking energy: -54.349
Base-Backbone interact. energy: 0.036
local terms energy: -80.340221
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -145.591133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.591133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.591133 (E_RNA)
where:
Base-Base interactions energy: -79.618
where: short stacking energy: -54.306
Base-Backbone interact. energy: -0.367
local terms energy: -65.605663
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -3.084
tors. eta vs tors. theta energy: -13.730
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -115.334390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.334390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.334390 (E_RNA)
where:
Base-Base interactions energy: -45.485
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.083
local terms energy: -69.765914
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -105.703171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.703171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.703171 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -31.423
Base-Backbone interact. energy: -1.561
local terms energy: -68.373580
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: 0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -125.855890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.855890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.855890 (E_RNA)
where:
Base-Base interactions energy: -56.537
where: short stacking energy: -43.697
Base-Backbone interact. energy: 0.686
local terms energy: -70.005695
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -281.954657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.954657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.954657 (E_RNA)
where:
Base-Base interactions energy: -177.855
where: short stacking energy: -91.732
Base-Backbone interact. energy: -0.081
local terms energy: -104.019150
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -12.187
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: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -271.868931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.868931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.868931 (E_RNA)
where:
Base-Base interactions energy: -168.236
where: short stacking energy: -86.551
Base-Backbone interact. energy: -0.233
local terms energy: -103.400306
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -254.386619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.386619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.386619 (E_RNA)
where:
Base-Base interactions energy: -157.447
where: short stacking energy: -92.530
Base-Backbone interact. energy: 0.342
local terms energy: -97.281858
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -199.550693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.550693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.550693 (E_RNA)
where:
Base-Base interactions energy: -112.549
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.327
local terms energy: -86.674521
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -6.749
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: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -216.623387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.623387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.623387 (E_RNA)
where:
Base-Base interactions energy: -137.221
where: short stacking energy: -64.821
Base-Backbone interact. energy: -0.541
local terms energy: -78.861906
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -129.941256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.941256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.941256 (E_RNA)
where:
Base-Base interactions energy: -54.740
where: short stacking energy: -47.825
Base-Backbone interact. energy: 1.092
local terms energy: -76.292706
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -6.500
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: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -123.510108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.510108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.510108 (E_RNA)
where:
Base-Base interactions energy: -54.801
where: short stacking energy: -38.838
Base-Backbone interact. energy: -0.380
local terms energy: -68.329695
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -122.074850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.074850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.074850 (E_RNA)
where:
Base-Base interactions energy: -46.344
where: short stacking energy: -45.139
Base-Backbone interact. energy: -1.036
local terms energy: -74.694666
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -116.078556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.078556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.078556 (E_RNA)
where:
Base-Base interactions energy: -53.926
where: short stacking energy: -41.529
Base-Backbone interact. energy: 0.590
local terms energy: -62.742105
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: 1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -110.336399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.336399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.336399 (E_RNA)
where:
Base-Base interactions energy: -41.922
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.069
local terms energy: -68.345388
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -283.609636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.609636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.609636 (E_RNA)
where:
Base-Base interactions energy: -183.338
where: short stacking energy: -96.709
Base-Backbone interact. energy: -0.305
local terms energy: -99.967347
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -273.094443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.094443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.094443 (E_RNA)
where:
Base-Base interactions energy: -172.297
where: short stacking energy: -77.562
Base-Backbone interact. energy: -0.203
local terms energy: -100.594339
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -12.238
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: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -259.939229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.939229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.939229 (E_RNA)
where:
Base-Base interactions energy: -159.571
where: short stacking energy: -80.683
Base-Backbone interact. energy: -0.115
local terms energy: -100.252832
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -22.306
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: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -228.414845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.414845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.414845 (E_RNA)
where:
Base-Base interactions energy: -150.154
where: short stacking energy: -59.554
Base-Backbone interact. energy: -1.040
local terms energy: -77.220301
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -14.013
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: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -205.287385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.287385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.287385 (E_RNA)
where:
Base-Base interactions energy: -124.058
where: short stacking energy: -56.383
Base-Backbone interact. energy: -0.492
local terms energy: -80.737526
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -142.008555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.008555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.008555 (E_RNA)
where:
Base-Base interactions energy: -61.753
where: short stacking energy: -49.577
Base-Backbone interact. energy: -0.137
local terms energy: -80.118082
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -114.992215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.992215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.992215 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -42.577
Base-Backbone interact. energy: -0.235
local terms energy: -72.180905
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -122.691244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.691244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.691244 (E_RNA)
where:
Base-Base interactions energy: -44.539
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.063
local terms energy: -78.089710
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -7.792
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: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -103.790345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.790345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.790345 (E_RNA)
where:
Base-Base interactions energy: -53.461
where: short stacking energy: -41.183
Base-Backbone interact. energy: -0.160
local terms energy: -50.169727
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: 1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -102.343188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.343188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.343188 (E_RNA)
where:
Base-Base interactions energy: -46.190
where: short stacking energy: -36.983
Base-Backbone interact. energy: 2.610
local terms energy: -58.762779
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: 0.002
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -276.887225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.887225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.887225 (E_RNA)
where:
Base-Base interactions energy: -176.689
where: short stacking energy: -79.633
Base-Backbone interact. energy: -1.004
local terms energy: -99.194281
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -22.742
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -271.882106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.882106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.882106 (E_RNA)
where:
Base-Base interactions energy: -168.251
where: short stacking energy: -88.507
Base-Backbone interact. energy: -0.223
local terms energy: -103.408196
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -14.521
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: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -257.704211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.704211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.704211 (E_RNA)
where:
Base-Base interactions energy: -160.206
where: short stacking energy: -81.354
Base-Backbone interact. energy: -0.581
local terms energy: -96.917227
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -21.098
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: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -219.686851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.686851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.686851 (E_RNA)
where:
Base-Base interactions energy: -138.141
where: short stacking energy: -69.679
Base-Backbone interact. energy: -0.385
local terms energy: -81.160214
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -192.547533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.547533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.547533 (E_RNA)
where:
Base-Base interactions energy: -116.921
where: short stacking energy: -58.034
Base-Backbone interact. energy: -1.717
local terms energy: -73.909005
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -159.325250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.325250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.325250 (E_RNA)
where:
Base-Base interactions energy: -94.394
where: short stacking energy: -49.387
Base-Backbone interact. energy: -0.274
local terms energy: -64.657337
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -124.828456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.828456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.828456 (E_RNA)
where:
Base-Base interactions energy: -48.952
where: short stacking energy: -34.112
Base-Backbone interact. energy: -0.171
local terms energy: -75.704945
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -149.195039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.195039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.195039 (E_RNA)
where:
Base-Base interactions energy: -88.244
where: short stacking energy: -31.884
Base-Backbone interact. energy: -0.980
local terms energy: -59.971227
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -104.003969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.003969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.003969 (E_RNA)
where:
Base-Base interactions energy: -54.488
where: short stacking energy: -42.336
Base-Backbone interact. energy: -1.240
local terms energy: -48.275752
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -100.385491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.385491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.385491 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -23.982
Base-Backbone interact. energy: -0.187
local terms energy: -64.391586
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: 1.414
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: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -280.003084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.003084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.003084 (E_RNA)
where:
Base-Base interactions energy: -186.097
where: short stacking energy: -83.056
Base-Backbone interact. energy: -1.769
local terms energy: -92.136777
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -270.349332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.349332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.349332 (E_RNA)
where:
Base-Base interactions energy: -174.259
where: short stacking energy: -83.683
Base-Backbone interact. energy: -0.672
local terms energy: -95.419010
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -248.059534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.059534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.059534 (E_RNA)
where:
Base-Base interactions energy: -153.490
where: short stacking energy: -77.227
Base-Backbone interact. energy: -0.293
local terms energy: -94.276799
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -230.168436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.168436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.168436 (E_RNA)
where:
Base-Base interactions energy: -138.979
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.534
local terms energy: -90.655920
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -15.778
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: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -184.773345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.773345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.773345 (E_RNA)
where:
Base-Base interactions energy: -100.015
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.959
local terms energy: -83.798634
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -12.363
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: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -184.760393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.760393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.760393 (E_RNA)
where:
Base-Base interactions energy: -107.948
where: short stacking energy: -53.136
Base-Backbone interact. energy: -1.207
local terms energy: -75.605213
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -131.173798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.173798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.173798 (E_RNA)
where:
Base-Base interactions energy: -61.027
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.353
local terms energy: -69.793536
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -163.240589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.240589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.240589 (E_RNA)
where:
Base-Base interactions energy: -94.002
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.704
local terms energy: -68.534602
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -6.734
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: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -149.448774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.448774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.448774 (E_RNA)
where:
Base-Base interactions energy: -80.347
where: short stacking energy: -49.519
Base-Backbone interact. energy: 1.094
local terms energy: -70.195531
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -93.315053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.315053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.315053 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -34.010
Base-Backbone interact. energy: -0.300
local terms energy: -57.900235
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: 4.979
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -286.361183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.361183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.361183 (E_RNA)
where:
Base-Base interactions energy: -191.485
where: short stacking energy: -92.035
Base-Backbone interact. energy: -0.298
local terms energy: -94.578401
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -278.494158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.494158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.494158 (E_RNA)
where:
Base-Base interactions energy: -174.194
where: short stacking energy: -100.385
Base-Backbone interact. energy: -0.325
local terms energy: -103.975140
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -248.506588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.506588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.506588 (E_RNA)
where:
Base-Base interactions energy: -157.701
where: short stacking energy: -87.456
Base-Backbone interact. energy: -0.101
local terms energy: -90.704139
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -2.470
tors. eta vs tors. theta energy: -24.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -247.148979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.148979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.148979 (E_RNA)
where:
Base-Base interactions energy: -156.702
where: short stacking energy: -84.402
Base-Backbone interact. energy: -0.476
local terms energy: -89.970737
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -171.721436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.721436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.721436 (E_RNA)
where:
Base-Base interactions energy: -84.880
where: short stacking energy: -51.305
Base-Backbone interact. energy: -1.925
local terms energy: -84.916823
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -165.498022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.498022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.498022 (E_RNA)
where:
Base-Base interactions energy: -88.354
where: short stacking energy: -54.879
Base-Backbone interact. energy: -0.159
local terms energy: -76.984889
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -141.611766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.611766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.611766 (E_RNA)
where:
Base-Base interactions energy: -74.896
where: short stacking energy: -41.125
Base-Backbone interact. energy: -0.092
local terms energy: -66.623128
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -116.695270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.695270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.695270 (E_RNA)
where:
Base-Base interactions energy: -40.863
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.285
local terms energy: -75.547726
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -1.859
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: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -127.877520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.877520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.877520 (E_RNA)
where:
Base-Base interactions energy: -71.453
where: short stacking energy: -41.615
Base-Backbone interact. energy: -0.457
local terms energy: -55.967711
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -93.971721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.971721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.971721 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -26.374
Base-Backbone interact. energy: -0.333
local terms energy: -61.333584
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -284.206077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.206077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.206077 (E_RNA)
where:
Base-Base interactions energy: -201.095
where: short stacking energy: -84.803
Base-Backbone interact. energy: -0.497
local terms energy: -82.613480
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -252.205625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.205625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.205625 (E_RNA)
where:
Base-Base interactions energy: -155.635
where: short stacking energy: -78.883
Base-Backbone interact. energy: 0.286
local terms energy: -96.856682
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -19.438
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: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -266.882164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.882164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.882164 (E_RNA)
where:
Base-Base interactions energy: -170.875
where: short stacking energy: -82.218
Base-Backbone interact. energy: -0.063
local terms energy: -95.944297
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -248.485547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.485547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.485547 (E_RNA)
where:
Base-Base interactions energy: -161.883
where: short stacking energy: -70.231
Base-Backbone interact. energy: 0.081
local terms energy: -86.683173
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -196.167713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.167713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.167713 (E_RNA)
where:
Base-Base interactions energy: -115.106
where: short stacking energy: -57.778
Base-Backbone interact. energy: -1.250
local terms energy: -79.812630
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -12.916
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: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -161.142903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.142903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.142903 (E_RNA)
where:
Base-Base interactions energy: -80.905
where: short stacking energy: -54.297
Base-Backbone interact. energy: -0.629
local terms energy: -79.608876
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -159.041695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.041695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.041695 (E_RNA)
where:
Base-Base interactions energy: -80.820
where: short stacking energy: -37.797
Base-Backbone interact. energy: -0.580
local terms energy: -77.641319
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -5.717
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: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -103.872104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.872104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.872104 (E_RNA)
where:
Base-Base interactions energy: -40.318
where: short stacking energy: -38.207
Base-Backbone interact. energy: 1.465
local terms energy: -65.018650
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -106.888063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.888063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.888063 (E_RNA)
where:
Base-Base interactions energy: -39.959
where: short stacking energy: -32.760
Base-Backbone interact. energy: -0.157
local terms energy: -66.771847
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -4.698
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: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -114.110036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.110036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.110036 (E_RNA)
where:
Base-Base interactions energy: -44.334
where: short stacking energy: -35.461
Base-Backbone interact. energy: 1.543
local terms energy: -71.319573
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -292.698052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.698052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.698052 (E_RNA)
where:
Base-Base interactions energy: -191.348
where: short stacking energy: -78.044
Base-Backbone interact. energy: -0.329
local terms energy: -101.020892
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -18.655
tors. eta vs tors. theta energy: -25.540
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: 10
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -274.458721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.458721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.458721 (E_RNA)
where:
Base-Base interactions energy: -170.181
where: short stacking energy: -95.117
Base-Backbone interact. energy: -1.052
local terms energy: -103.225871
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -28.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -259.821304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.821304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.821304 (E_RNA)
where:
Base-Base interactions energy: -158.436
where: short stacking energy: -80.328
Base-Backbone interact. energy: -0.064
local terms energy: -101.320879
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -264.589890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.589890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.589890 (E_RNA)
where:
Base-Base interactions energy: -164.218
where: short stacking energy: -91.603
Base-Backbone interact. energy: -0.277
local terms energy: -100.094964
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -212.701720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.701720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.701720 (E_RNA)
where:
Base-Base interactions energy: -124.860
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.710
local terms energy: -87.132271
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -8.772
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -11.219
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: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -184.960003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.960003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.960003 (E_RNA)
where:
Base-Base interactions energy: -114.567
where: short stacking energy: -64.765
Base-Backbone interact. energy: 0.087
local terms energy: -70.479816
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -139.586043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.586043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.586043 (E_RNA)
where:
Base-Base interactions energy: -52.383
where: short stacking energy: -47.462
Base-Backbone interact. energy: -0.087
local terms energy: -87.115607
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -111.885873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.885873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.885873 (E_RNA)
where:
Base-Base interactions energy: -48.023
where: short stacking energy: -41.927
Base-Backbone interact. energy: 0.042
local terms energy: -63.904282
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -152.587195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.587195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.587195 (E_RNA)
where:
Base-Base interactions energy: -83.517
where: short stacking energy: -44.035
Base-Backbone interact. energy: 0.599
local terms energy: -69.669949
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -95.844317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.844317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.844317 (E_RNA)
where:
Base-Base interactions energy: -31.029
where: short stacking energy: -30.932
Base-Backbone interact. energy: -0.225
local terms energy: -64.590644
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -1.203
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: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -281.298746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.298746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.298746 (E_RNA)
where:
Base-Base interactions energy: -173.658
where: short stacking energy: -76.554
Base-Backbone interact. energy: -0.334
local terms energy: -107.306508
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -25.635
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -275.019761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.019761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.019761 (E_RNA)
where:
Base-Base interactions energy: -170.206
where: short stacking energy: -91.182
Base-Backbone interact. energy: -0.723
local terms energy: -104.090774
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -24.371
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: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -266.148510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.148510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.148510 (E_RNA)
where:
Base-Base interactions energy: -166.237
where: short stacking energy: -88.823
Base-Backbone interact. energy: -0.120
local terms energy: -99.791693
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -23.766
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -25.066
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: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -259.256859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.256859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.256859 (E_RNA)
where:
Base-Base interactions energy: -168.174
where: short stacking energy: -95.527
Base-Backbone interact. energy: -0.373
local terms energy: -90.709569
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -10.994
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: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -198.548710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.548710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.548710 (E_RNA)
where:
Base-Base interactions energy: -113.211
where: short stacking energy: -70.018
Base-Backbone interact. energy: -1.990
local terms energy: -83.348641
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -23.804
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -173.672094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.672094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.672094 (E_RNA)
where:
Base-Base interactions energy: -97.942
where: short stacking energy: -54.864
Base-Backbone interact. energy: 0.510
local terms energy: -76.239649
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -13.763
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: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -124.001492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.001492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.001492 (E_RNA)
where:
Base-Base interactions energy: -50.374
where: short stacking energy: -49.584
Base-Backbone interact. energy: -0.170
local terms energy: -73.457319
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -163.642682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.642682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.642682 (E_RNA)
where:
Base-Base interactions energy: -87.664
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.111
local terms energy: -75.868585
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -12.492
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: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -115.329285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.329285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.329285 (E_RNA)
where:
Base-Base interactions energy: -48.031
where: short stacking energy: -43.693
Base-Backbone interact. energy: -0.180
local terms energy: -67.118365
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -114.324321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.324321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.324321 (E_RNA)
where:
Base-Base interactions energy: -49.235
where: short stacking energy: -31.556
Base-Backbone interact. energy: 1.262
local terms energy: -66.350703
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: 1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -271.942886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.942886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.942886 (E_RNA)
where:
Base-Base interactions energy: -165.773
where: short stacking energy: -89.636
Base-Backbone interact. energy: 0.064
local terms energy: -106.233696
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -24.591
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: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -254.246123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.246123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.246123 (E_RNA)
where:
Base-Base interactions energy: -156.614
where: short stacking energy: -79.204
Base-Backbone interact. energy: -0.183
local terms energy: -97.448545
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -21.900
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: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -261.097902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.097902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.097902 (E_RNA)
where:
Base-Base interactions energy: -169.697
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.574
local terms energy: -90.827439
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -22.800
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: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -287.453994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.453994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.453994 (E_RNA)
where:
Base-Base interactions energy: -189.569
where: short stacking energy: -95.432
Base-Backbone interact. energy: -0.049
local terms energy: -97.836382
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -185.035604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.035604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.035604 (E_RNA)
where:
Base-Base interactions energy: -111.162
where: short stacking energy: -61.944
Base-Backbone interact. energy: 0.915
local terms energy: -74.788645
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -9.389
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: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -189.007914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.007914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.007914 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -59.061
Base-Backbone interact. energy: 0.554
local terms energy: -84.064642
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -178.346318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.346318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.346318 (E_RNA)
where:
Base-Base interactions energy: -106.844
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.159
local terms energy: -71.343035
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -8.648
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: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -113.770886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.770886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.770886 (E_RNA)
where:
Base-Base interactions energy: -43.410
where: short stacking energy: -43.998
Base-Backbone interact. energy: -0.237
local terms energy: -70.123846
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -113.884685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.884685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.884685 (E_RNA)
where:
Base-Base interactions energy: -42.691
where: short stacking energy: -38.605
Base-Backbone interact. energy: 2.915
local terms energy: -74.108992
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -98.968442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968442 (E_RNA)
where:
Base-Base interactions energy: -28.446
where: short stacking energy: -25.420
Base-Backbone interact. energy: -0.535
local terms energy: -69.987814
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -2.750
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: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -258.401425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.401425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.401425 (E_RNA)
where:
Base-Base interactions energy: -160.218
where: short stacking energy: -71.798
Base-Backbone interact. energy: -0.279
local terms energy: -97.904044
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -18.689
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: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -265.682158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.682158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.682158 (E_RNA)
where:
Base-Base interactions energy: -162.318
where: short stacking energy: -94.334
Base-Backbone interact. energy: -0.264
local terms energy: -103.099649
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -22.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -254.091842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.091842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.091842 (E_RNA)
where:
Base-Base interactions energy: -166.603
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.249
local terms energy: -87.239865
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -302.062007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.062007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.062007 (E_RNA)
where:
Base-Base interactions energy: -202.009
where: short stacking energy: -97.375
Base-Backbone interact. energy: -0.668
local terms energy: -99.385290
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -22.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -189.153790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.153790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.153790 (E_RNA)
where:
Base-Base interactions energy: -108.960
where: short stacking energy: -70.615
Base-Backbone interact. energy: -1.001
local terms energy: -79.192837
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -194.173537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.173537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.173537 (E_RNA)
where:
Base-Base interactions energy: -114.108
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.036
local terms energy: -80.029366
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -146.496080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.496080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.496080 (E_RNA)
where:
Base-Base interactions energy: -75.092
where: short stacking energy: -48.990
Base-Backbone interact. energy: 0.390
local terms energy: -71.794133
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -115.826465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.826465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.826465 (E_RNA)
where:
Base-Base interactions energy: -55.072
where: short stacking energy: -38.054
Base-Backbone interact. energy: -0.270
local terms energy: -60.484662
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -3.407
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: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -112.190029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.190029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.190029 (E_RNA)
where:
Base-Base interactions energy: -42.257
where: short stacking energy: -42.520
Base-Backbone interact. energy: 0.909
local terms energy: -70.841517
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -101.213999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.213999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.213999 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -33.480
Base-Backbone interact. energy: -0.165
local terms energy: -59.664491
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -279.332289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.332289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.332289 (E_RNA)
where:
Base-Base interactions energy: -171.240
where: short stacking energy: -89.017
Base-Backbone interact. energy: -1.504
local terms energy: -106.589081
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -24.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -276.298601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.298601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.298601 (E_RNA)
where:
Base-Base interactions energy: -191.305
where: short stacking energy: -90.733
Base-Backbone interact. energy: -0.167
local terms energy: -84.827178
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -287.868477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.868477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.868477 (E_RNA)
where:
Base-Base interactions energy: -196.051
where: short stacking energy: -81.519
Base-Backbone interact. energy: -0.808
local terms energy: -91.009524
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -248.764380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.764380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.764380 (E_RNA)
where:
Base-Base interactions energy: -155.372
where: short stacking energy: -83.736
Base-Backbone interact. energy: -0.505
local terms energy: -92.887305
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -215.537653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.537653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.537653 (E_RNA)
where:
Base-Base interactions energy: -120.232
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.514
local terms energy: -94.792231
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -176.754828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.754828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.754828 (E_RNA)
where:
Base-Base interactions energy: -83.622
where: short stacking energy: -48.438
Base-Backbone interact. energy: -1.821
local terms energy: -91.311563
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -13.219
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: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -141.560565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.560565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.560565 (E_RNA)
where:
Base-Base interactions energy: -62.502
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.112
local terms energy: -78.946022
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -7.230
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: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -110.032774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.032774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.032774 (E_RNA)
where:
Base-Base interactions energy: -42.666
where: short stacking energy: -42.328
Base-Backbone interact. energy: -0.159
local terms energy: -67.208396
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -9.966
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: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -128.307441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.307441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.307441 (E_RNA)
where:
Base-Base interactions energy: -56.500
where: short stacking energy: -34.865
Base-Backbone interact. energy: 1.158
local terms energy: -72.964596
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -98.429565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.429565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.429565 (E_RNA)
where:
Base-Base interactions energy: -44.931
where: short stacking energy: -36.105
Base-Backbone interact. energy: -1.004
local terms energy: -52.494374
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -286.821959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.821959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.821959 (E_RNA)
where:
Base-Base interactions energy: -170.598
where: short stacking energy: -87.593
Base-Backbone interact. energy: -0.055
local terms energy: -116.169541
where:
bonds (distance) C4'-P energy: -21.700
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -27.353
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -288.255014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.255014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.255014 (E_RNA)
where:
Base-Base interactions energy: -189.193
where: short stacking energy: -90.777
Base-Backbone interact. energy: -0.310
local terms energy: -98.751840
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -24.899
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -276.567144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.567144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.567144 (E_RNA)
where:
Base-Base interactions energy: -183.385
where: short stacking energy: -85.017
Base-Backbone interact. energy: -0.181
local terms energy: -93.000371
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -23.941
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -251.072171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.072171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.072171 (E_RNA)
where:
Base-Base interactions energy: -158.348
where: short stacking energy: -91.963
Base-Backbone interact. energy: -0.055
local terms energy: -92.669644
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -24.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -223.873218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.873218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.873218 (E_RNA)
where:
Base-Base interactions energy: -132.183
where: short stacking energy: -69.725
Base-Backbone interact. energy: -0.875
local terms energy: -90.815692
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -166.924559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.924559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.924559 (E_RNA)
where:
Base-Base interactions energy: -93.838
where: short stacking energy: -56.977
Base-Backbone interact. energy: 1.429
local terms energy: -74.515152
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -125.461605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.461605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.461605 (E_RNA)
where:
Base-Base interactions energy: -54.195
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.089
local terms energy: -71.177945
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -119.397565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.397565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.397565 (E_RNA)
where:
Base-Base interactions energy: -43.607
where: short stacking energy: -40.161
Base-Backbone interact. energy: -1.140
local terms energy: -74.650177
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -109.914734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.914734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.914734 (E_RNA)
where:
Base-Base interactions energy: -40.887
where: short stacking energy: -38.932
Base-Backbone interact. energy: -0.236
local terms energy: -68.791380
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -108.868448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.868448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.868448 (E_RNA)
where:
Base-Base interactions energy: -52.433
where: short stacking energy: -45.822
Base-Backbone interact. energy: -0.208
local terms energy: -56.227257
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -3.946
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: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -302.999818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.999818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.999818 (E_RNA)
where:
Base-Base interactions energy: -194.213
where: short stacking energy: -89.286
Base-Backbone interact. energy: -0.188
local terms energy: -108.598325
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -20.485
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: 10
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -279.456505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.456505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.456505 (E_RNA)
where:
Base-Base interactions energy: -166.505
where: short stacking energy: -80.000
Base-Backbone interact. energy: -0.759
local terms energy: -112.192210
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -28.911
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -265.261650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.261650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.261650 (E_RNA)
where:
Base-Base interactions energy: -175.784
where: short stacking energy: -78.983
Base-Backbone interact. energy: -1.482
local terms energy: -87.996051
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -232.567586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.567586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.567586 (E_RNA)
where:
Base-Base interactions energy: -132.566
where: short stacking energy: -79.534
Base-Backbone interact. energy: -0.402
local terms energy: -99.599861
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -24.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -225.433164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.433164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.433164 (E_RNA)
where:
Base-Base interactions energy: -142.149
where: short stacking energy: -82.045
Base-Backbone interact. energy: -0.554
local terms energy: -82.730253
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -166.463562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.463562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.463562 (E_RNA)
where:
Base-Base interactions energy: -90.434
where: short stacking energy: -67.882
Base-Backbone interact. energy: 0.228
local terms energy: -76.257484
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -113.565483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.565483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.565483 (E_RNA)
where:
Base-Base interactions energy: -35.061
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.247
local terms energy: -78.257172
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -122.529537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.529537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.529537 (E_RNA)
where:
Base-Base interactions energy: -54.592
where: short stacking energy: -47.494
Base-Backbone interact. energy: 1.408
local terms energy: -69.344996
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -115.746017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.746017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.746017 (E_RNA)
where:
Base-Base interactions energy: -41.196
where: short stacking energy: -38.590
Base-Backbone interact. energy: -1.253
local terms energy: -73.296921
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -95.994572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.994572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.994572 (E_RNA)
where:
Base-Base interactions energy: -39.794
where: short stacking energy: -32.104
Base-Backbone interact. energy: -0.145
local terms energy: -56.055109
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -317.234999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.234999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.234999 (E_RNA)
where:
Base-Base interactions energy: -216.787
where: short stacking energy: -94.382
Base-Backbone interact. energy: -0.060
local terms energy: -100.387185
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -280.856764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.856764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.856764 (E_RNA)
where:
Base-Base interactions energy: -171.620
where: short stacking energy: -87.920
Base-Backbone interact. energy: -0.078
local terms energy: -109.159056
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -24.591
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -25.278
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: 37
Temperature: 1.000000
Total energy: -279.034406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.034406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.034406 (E_RNA)
where:
Base-Base interactions energy: -184.063
where: short stacking energy: -87.192
Base-Backbone interact. energy: 1.484
local terms energy: -96.454647
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -257.988655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.988655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.988655 (E_RNA)
where:
Base-Base interactions energy: -151.040
where: short stacking energy: -89.952
Base-Backbone interact. energy: -0.531
local terms energy: -106.417412
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -208.172349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.172349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.172349 (E_RNA)
where:
Base-Base interactions energy: -121.521
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.669
local terms energy: -85.982811
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -192.698820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.698820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.698820 (E_RNA)
where:
Base-Base interactions energy: -106.946
where: short stacking energy: -65.034
Base-Backbone interact. energy: -0.346
local terms energy: -85.406285
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -121.730748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.730748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.730748 (E_RNA)
where:
Base-Base interactions energy: -55.239
where: short stacking energy: -49.644
Base-Backbone interact. energy: -0.200
local terms energy: -66.291484
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -117.885609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.885609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.885609 (E_RNA)
where:
Base-Base interactions energy: -52.172
where: short stacking energy: -36.296
Base-Backbone interact. energy: -0.175
local terms energy: -65.539285
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -101.009386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.009386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.009386 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -32.096
Base-Backbone interact. energy: -0.304
local terms energy: -65.900847
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -97.651379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.651379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.651379 (E_RNA)
where:
Base-Base interactions energy: -42.118
where: short stacking energy: -28.832
Base-Backbone interact. energy: -0.353
local terms energy: -55.180277
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: 1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -294.847921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.847921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.847921 (E_RNA)
where:
Base-Base interactions energy: -201.367
where: short stacking energy: -81.335
Base-Backbone interact. energy: -0.055
local terms energy: -93.426147
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -16.688
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: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -269.886543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.886543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.886543 (E_RNA)
where:
Base-Base interactions energy: -167.464
where: short stacking energy: -91.940
Base-Backbone interact. energy: -1.065
local terms energy: -101.357717
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -18.135
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: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -256.006151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.006151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.006151 (E_RNA)
where:
Base-Base interactions energy: -158.307
where: short stacking energy: -86.844
Base-Backbone interact. energy: -0.014
local terms energy: -97.685950
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -24.303
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: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -246.575529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.575529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.575529 (E_RNA)
where:
Base-Base interactions energy: -160.060
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.023
local terms energy: -86.492216
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -9.128
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: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -234.785435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.785435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.785435 (E_RNA)
where:
Base-Base interactions energy: -143.280
where: short stacking energy: -77.004
Base-Backbone interact. energy: 1.185
local terms energy: -92.689520
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -16.178
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: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -181.800670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.800670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.800670 (E_RNA)
where:
Base-Base interactions energy: -96.635
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.137
local terms energy: -85.029283
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -11.959
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: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -120.363072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.363072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.363072 (E_RNA)
where:
Base-Base interactions energy: -51.685
where: short stacking energy: -37.874
Base-Backbone interact. energy: -0.847
local terms energy: -67.831783
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -110.443201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.443201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.443201 (E_RNA)
where:
Base-Base interactions energy: -42.291
where: short stacking energy: -40.015
Base-Backbone interact. energy: -0.467
local terms energy: -67.685741
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -115.799409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.799409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.799409 (E_RNA)
where:
Base-Base interactions energy: -55.546
where: short stacking energy: -47.014
Base-Backbone interact. energy: -0.799
local terms energy: -59.454243
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -4.526
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -101.239151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.239151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.239151 (E_RNA)
where:
Base-Base interactions energy: -32.227
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.210
local terms energy: -68.802351
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -308.109851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.109851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.109851 (E_RNA)
where:
Base-Base interactions energy: -200.962
where: short stacking energy: -90.395
Base-Backbone interact. energy: -0.143
local terms energy: -107.004112
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -22.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -275.693967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.693967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.693967 (E_RNA)
where:
Base-Base interactions energy: -171.712
where: short stacking energy: -94.553
Base-Backbone interact. energy: -1.302
local terms energy: -102.679101
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -27.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -239.534478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.534478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.534478 (E_RNA)
where:
Base-Base interactions energy: -147.720
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.105
local terms energy: -91.709853
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -12.916
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: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -236.958646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.958646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.958646 (E_RNA)
where:
Base-Base interactions energy: -148.544
where: short stacking energy: -76.449
Base-Backbone interact. energy: -1.187
local terms energy: -87.228119
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.728
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -234.159971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.159971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.159971 (E_RNA)
where:
Base-Base interactions energy: -143.422
where: short stacking energy: -76.028
Base-Backbone interact. energy: -0.087
local terms energy: -90.650831
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -17.914
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: 39
Temperature: 1.150000
Total energy: -142.376781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.376781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.376781 (E_RNA)
where:
Base-Base interactions energy: -66.250
where: short stacking energy: -61.873
Base-Backbone interact. energy: -0.185
local terms energy: -75.942229
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -10.706
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: 39
Temperature: 1.200000
Total energy: -206.831074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.831074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.831074 (E_RNA)
where:
Base-Base interactions energy: -138.444
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.954
local terms energy: -67.433221
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -115.396598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.396598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.396598 (E_RNA)
where:
Base-Base interactions energy: -52.182
where: short stacking energy: -52.182
Base-Backbone interact. energy: -0.287
local terms energy: -62.928060
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -108.999934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.999934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.999934 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -30.922
Base-Backbone interact. energy: 0.400
local terms energy: -66.825622
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -5.187
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: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -99.083581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.083581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.083581 (E_RNA)
where:
Base-Base interactions energy: -35.294
where: short stacking energy: -31.985
Base-Backbone interact. energy: -0.390
local terms energy: -63.399500
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: 2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -290.682748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.682748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.682748 (E_RNA)
where:
Base-Base interactions energy: -195.525
where: short stacking energy: -84.018
Base-Backbone interact. energy: -1.043
local terms energy: -94.114680
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -276.345878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.345878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.345878 (E_RNA)
where:
Base-Base interactions energy: -178.456
where: short stacking energy: -88.748
Base-Backbone interact. energy: -0.333
local terms energy: -97.556637
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -13.144
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: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -247.006106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.006106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.006106 (E_RNA)
where:
Base-Base interactions energy: -150.544
where: short stacking energy: -79.744
Base-Backbone interact. energy: -0.660
local terms energy: -95.802370
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -14.683
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: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -242.718094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.718094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.718094 (E_RNA)
where:
Base-Base interactions energy: -148.400
where: short stacking energy: -77.199
Base-Backbone interact. energy: -0.179
local terms energy: -94.139547
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -246.359718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.359718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.359718 (E_RNA)
where:
Base-Base interactions energy: -152.585
where: short stacking energy: -84.033
Base-Backbone interact. energy: 0.254
local terms energy: -94.028592
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -138.195410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.195410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.195410 (E_RNA)
where:
Base-Base interactions energy: -66.121
where: short stacking energy: -56.915
Base-Backbone interact. energy: -0.706
local terms energy: -71.368522
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -185.390147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.390147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.390147 (E_RNA)
where:
Base-Base interactions energy: -110.361
where: short stacking energy: -49.572
Base-Backbone interact. energy: 0.090
local terms energy: -75.119871
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -10.232
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: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -114.087657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.087657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.087657 (E_RNA)
where:
Base-Base interactions energy: -46.793
where: short stacking energy: -40.118
Base-Backbone interact. energy: -0.296
local terms energy: -66.998112
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -109.294984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.294984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.294984 (E_RNA)
where:
Base-Base interactions energy: -44.149
where: short stacking energy: -40.199
Base-Backbone interact. energy: -0.115
local terms energy: -65.030972
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -109.516740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.516740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.516740 (E_RNA)
where:
Base-Base interactions energy: -38.070
where: short stacking energy: -34.760
Base-Backbone interact. energy: -0.323
local terms energy: -71.124055
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -5.187
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: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -303.065804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.065804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.065804 (E_RNA)
where:
Base-Base interactions energy: -198.063
where: short stacking energy: -88.817
Base-Backbone interact. energy: -0.049
local terms energy: -104.953158
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -24.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -287.713644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.713644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.713644 (E_RNA)
where:
Base-Base interactions energy: -184.647
where: short stacking energy: -81.686
Base-Backbone interact. energy: -0.521
local terms energy: -102.545133
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -274.409261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.409261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.409261 (E_RNA)
where:
Base-Base interactions energy: -167.532
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.189
local terms energy: -106.688469
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -258.543097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.543097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.543097 (E_RNA)
where:
Base-Base interactions energy: -170.741
where: short stacking energy: -69.428
Base-Backbone interact. energy: -0.038
local terms energy: -87.764373
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -239.940936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.940936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.940936 (E_RNA)
where:
Base-Base interactions energy: -151.067
where: short stacking energy: -80.249
Base-Backbone interact. energy: -0.242
local terms energy: -88.631774
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -131.964788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.964788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.964788 (E_RNA)
where:
Base-Base interactions energy: -54.864
where: short stacking energy: -42.062
Base-Backbone interact. energy: -0.551
local terms energy: -76.549016
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -191.331266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.331266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.331266 (E_RNA)
where:
Base-Base interactions energy: -109.995
where: short stacking energy: -52.319
Base-Backbone interact. energy: -1.167
local terms energy: -80.169502
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -115.691692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.691692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.691692 (E_RNA)
where:
Base-Base interactions energy: -38.165
where: short stacking energy: -37.124
Base-Backbone interact. energy: -0.151
local terms energy: -77.375854
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -107.162428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.162428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.162428 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -29.283
Base-Backbone interact. energy: -0.081
local terms energy: -72.571238
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -109.343710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.343710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.343710 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -42.744
Base-Backbone interact. energy: -0.213
local terms energy: -66.586707
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -7.534
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: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -312.259685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.259685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.259685 (E_RNA)
where:
Base-Base interactions energy: -213.029
where: short stacking energy: -109.035
Base-Backbone interact. energy: 0.095
local terms energy: -99.325769
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -27.469
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: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -269.245120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.245120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.245120 (E_RNA)
where:
Base-Base interactions energy: -175.971
where: short stacking energy: -90.977
Base-Backbone interact. energy: -1.203
local terms energy: -92.071287
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -10.225
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: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -260.836903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.836903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.836903 (E_RNA)
where:
Base-Base interactions energy: -170.504
where: short stacking energy: -64.073
Base-Backbone interact. energy: -0.893
local terms energy: -89.439218
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -267.254488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.254488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.254488 (E_RNA)
where:
Base-Base interactions energy: -173.797
where: short stacking energy: -89.681
Base-Backbone interact. energy: -0.431
local terms energy: -93.025849
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -234.754368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.754368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.754368 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -76.648
Base-Backbone interact. energy: -0.212
local terms energy: -91.714908
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -155.463107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.463107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.463107 (E_RNA)
where:
Base-Base interactions energy: -79.311
where: short stacking energy: -53.802
Base-Backbone interact. energy: -1.707
local terms energy: -74.445737
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -12.974
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: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -172.651072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.651072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.651072 (E_RNA)
where:
Base-Base interactions energy: -87.998
where: short stacking energy: -46.775
Base-Backbone interact. energy: 0.283
local terms energy: -84.935738
where:
bonds (distance) C4'-P energy: -21.199
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -122.714108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.714108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.714108 (E_RNA)
where:
Base-Base interactions energy: -62.791
where: short stacking energy: -42.913
Base-Backbone interact. energy: -0.825
local terms energy: -59.097516
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -5.636
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: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -104.927109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.927109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.927109 (E_RNA)
where:
Base-Base interactions energy: -44.035
where: short stacking energy: -29.986
Base-Backbone interact. energy: -0.734
local terms energy: -60.157988
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -2.570
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -114.625948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.625948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.625948 (E_RNA)
where:
Base-Base interactions energy: -56.431
where: short stacking energy: -41.620
Base-Backbone interact. energy: -0.582
local terms energy: -57.612661
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -2.023
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -299.120069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.120069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.120069 (E_RNA)
where:
Base-Base interactions energy: -202.520
where: short stacking energy: -98.757
Base-Backbone interact. energy: -0.447
local terms energy: -96.152994
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -24.065
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -276.446374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.446374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.446374 (E_RNA)
where:
Base-Base interactions energy: -182.871
where: short stacking energy: -80.865
Base-Backbone interact. energy: -1.355
local terms energy: -92.220814
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -268.599120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.599120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.599120 (E_RNA)
where:
Base-Base interactions energy: -176.793
where: short stacking energy: -88.986
Base-Backbone interact. energy: -1.031
local terms energy: -90.775729
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -23.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -286.185200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.185200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.185200 (E_RNA)
where:
Base-Base interactions energy: -182.723
where: short stacking energy: -88.906
Base-Backbone interact. energy: -0.040
local terms energy: -103.422529
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -24.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -239.821227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.821227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.821227 (E_RNA)
where:
Base-Base interactions energy: -144.765
where: short stacking energy: -80.786
Base-Backbone interact. energy: -0.183
local terms energy: -94.872812
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -18.546
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: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -138.982238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.982238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.982238 (E_RNA)
where:
Base-Base interactions energy: -58.013
where: short stacking energy: -38.888
Base-Backbone interact. energy: -0.677
local terms energy: -80.292701
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -115.931730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.931730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.931730 (E_RNA)
where:
Base-Base interactions energy: -53.240
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.528
local terms energy: -62.163374
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -124.941904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.941904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.941904 (E_RNA)
where:
Base-Base interactions energy: -52.908
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.093
local terms energy: -71.941296
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -115.074967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.074967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.074967 (E_RNA)
where:
Base-Base interactions energy: -40.466
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.235
local terms energy: -74.374318
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -118.052273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.052273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.052273 (E_RNA)
where:
Base-Base interactions energy: -44.803
where: short stacking energy: -34.257
Base-Backbone interact. energy: -0.632
local terms energy: -72.617035
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -309.047987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.047987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.047987 (E_RNA)
where:
Base-Base interactions energy: -204.456
where: short stacking energy: -89.778
Base-Backbone interact. energy: -0.733
local terms energy: -103.859603
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -23.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -278.844165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.844165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.844165 (E_RNA)
where:
Base-Base interactions energy: -182.208
where: short stacking energy: -75.153
Base-Backbone interact. energy: -0.485
local terms energy: -96.150676
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -299.278297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.278297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.278297 (E_RNA)
where:
Base-Base interactions energy: -184.480
where: short stacking energy: -94.015
Base-Backbone interact. energy: -0.003
local terms energy: -114.794768
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -23.806
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -33.605
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: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -244.827419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.827419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.827419 (E_RNA)
where:
Base-Base interactions energy: -153.958
where: short stacking energy: -79.205
Base-Backbone interact. energy: -0.512
local terms energy: -90.357063
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -230.646475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.646475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.646475 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -93.193
Base-Backbone interact. energy: -0.097
local terms energy: -88.241929
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -168.006953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.006953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.006953 (E_RNA)
where:
Base-Base interactions energy: -92.051
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.100
local terms energy: -75.856117
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -129.774141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.774141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.774141 (E_RNA)
where:
Base-Base interactions energy: -60.319
where: short stacking energy: -49.059
Base-Backbone interact. energy: 0.540
local terms energy: -69.995099
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -107.818273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.818273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.818273 (E_RNA)
where:
Base-Base interactions energy: -44.120
where: short stacking energy: -42.404
Base-Backbone interact. energy: -0.565
local terms energy: -63.133295
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -104.408289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.408289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.408289 (E_RNA)
where:
Base-Base interactions energy: -38.886
where: short stacking energy: -25.936
Base-Backbone interact. energy: -2.300
local terms energy: -63.221641
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: 3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -95.838574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.838574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.838574 (E_RNA)
where:
Base-Base interactions energy: -28.955
where: short stacking energy: -30.355
Base-Backbone interact. energy: -0.112
local terms energy: -66.772248
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -315.946649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.946649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.946649 (E_RNA)
where:
Base-Base interactions energy: -208.890
where: short stacking energy: -92.844
Base-Backbone interact. energy: 0.923
local terms energy: -107.979847
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -25.542
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: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -303.356344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.356344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.356344 (E_RNA)
where:
Base-Base interactions energy: -194.085
where: short stacking energy: -98.014
Base-Backbone interact. energy: -0.788
local terms energy: -108.483128
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -28.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -287.115847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.115847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.115847 (E_RNA)
where:
Base-Base interactions energy: -199.104
where: short stacking energy: -90.695
Base-Backbone interact. energy: -1.563
local terms energy: -86.449378
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -24.345
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -243.351647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.351647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.351647 (E_RNA)
where:
Base-Base interactions energy: -146.815
where: short stacking energy: -86.707
Base-Backbone interact. energy: -0.009
local terms energy: -96.527880
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -23.582
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: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -235.784942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.784942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.784942 (E_RNA)
where:
Base-Base interactions energy: -144.988
where: short stacking energy: -67.781
Base-Backbone interact. energy: -0.360
local terms energy: -90.437355
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -13.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -163.202896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.202896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.202896 (E_RNA)
where:
Base-Base interactions energy: -91.970
where: short stacking energy: -49.656
Base-Backbone interact. energy: -0.288
local terms energy: -70.944144
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -9.456
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: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -123.597731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.597731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.597731 (E_RNA)
where:
Base-Base interactions energy: -46.273
where: short stacking energy: -46.724
Base-Backbone interact. energy: -0.228
local terms energy: -77.096498
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -129.440487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.440487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.440487 (E_RNA)
where:
Base-Base interactions energy: -61.247
where: short stacking energy: -36.590
Base-Backbone interact. energy: 0.097
local terms energy: -68.290315
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -100.706885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.706885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.706885 (E_RNA)
where:
Base-Base interactions energy: -37.198
where: short stacking energy: -30.725
Base-Backbone interact. energy: 1.166
local terms energy: -64.674768
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -98.222350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.222350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.222350 (E_RNA)
where:
Base-Base interactions energy: -42.153
where: short stacking energy: -20.034
Base-Backbone interact. energy: -0.414
local terms energy: -55.655776
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: 7.392
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: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -308.145160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.145160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.145160 (E_RNA)
where:
Base-Base interactions energy: -198.358
where: short stacking energy: -96.641
Base-Backbone interact. energy: -1.208
local terms energy: -108.578726
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -30.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -306.582593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.582593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.582593 (E_RNA)
where:
Base-Base interactions energy: -202.847
where: short stacking energy: -95.264
Base-Backbone interact. energy: 0.026
local terms energy: -103.761123
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -26.394
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: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -291.711823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.711823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.711823 (E_RNA)
where:
Base-Base interactions energy: -208.817
where: short stacking energy: -85.253
Base-Backbone interact. energy: -0.472
local terms energy: -82.423468
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -24.352
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -237.867485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.867485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.867485 (E_RNA)
where:
Base-Base interactions energy: -150.870
where: short stacking energy: -71.250
Base-Backbone interact. energy: -2.458
local terms energy: -84.539650
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -19.375
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: 46
Temperature: 1.100000
Total energy: -238.457086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.457086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.457086 (E_RNA)
where:
Base-Base interactions energy: -155.712
where: short stacking energy: -64.876
Base-Backbone interact. energy: -0.318
local terms energy: -82.426296
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -16.965
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -143.536168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.536168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.536168 (E_RNA)
where:
Base-Base interactions energy: -64.777
where: short stacking energy: -38.239
Base-Backbone interact. energy: 2.077
local terms energy: -80.835904
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -139.212743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.212743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.212743 (E_RNA)
where:
Base-Base interactions energy: -66.892
where: short stacking energy: -47.683
Base-Backbone interact. energy: -0.232
local terms energy: -72.088869
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -123.967155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.967155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.967155 (E_RNA)
where:
Base-Base interactions energy: -39.083
where: short stacking energy: -39.083
Base-Backbone interact. energy: -0.222
local terms energy: -84.661654
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -141.960255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.960255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.960255 (E_RNA)
where:
Base-Base interactions energy: -76.406
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.425
local terms energy: -65.128869
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -2.749
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: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -104.900124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.900124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.900124 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -25.560
Base-Backbone interact. energy: -0.200
local terms energy: -73.762822
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -300.694038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.694038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.694038 (E_RNA)
where:
Base-Base interactions energy: -190.264
where: short stacking energy: -102.034
Base-Backbone interact. energy: -0.532
local terms energy: -109.898221
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -30.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -310.853512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.853512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.853512 (E_RNA)
where:
Base-Base interactions energy: -207.798
where: short stacking energy: -98.520
Base-Backbone interact. energy: -0.177
local terms energy: -102.878938
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -27.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -297.150998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.150998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.150998 (E_RNA)
where:
Base-Base interactions energy: -200.002
where: short stacking energy: -93.242
Base-Backbone interact. energy: -1.737
local terms energy: -95.411777
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -23.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -252.034659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.034659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.034659 (E_RNA)
where:
Base-Base interactions energy: -156.141
where: short stacking energy: -78.026
Base-Backbone interact. energy: -0.046
local terms energy: -95.847236
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -237.563524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.563524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.563524 (E_RNA)
where:
Base-Base interactions energy: -151.639
where: short stacking energy: -73.920
Base-Backbone interact. energy: -0.367
local terms energy: -85.557569
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -131.939382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.939382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.939382 (E_RNA)
where:
Base-Base interactions energy: -56.266
where: short stacking energy: -49.628
Base-Backbone interact. energy: -0.971
local terms energy: -74.702721
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -127.044764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.044764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.044764 (E_RNA)
where:
Base-Base interactions energy: -61.121
where: short stacking energy: -43.031
Base-Backbone interact. energy: -0.222
local terms energy: -65.702312
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -115.537002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.537002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.537002 (E_RNA)
where:
Base-Base interactions energy: -46.678
where: short stacking energy: -42.923
Base-Backbone interact. energy: 1.348
local terms energy: -70.207058
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -102.747387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.747387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.747387 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -32.372
Base-Backbone interact. energy: -0.440
local terms energy: -66.902303
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -108.514583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.514583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.514583 (E_RNA)
where:
Base-Base interactions energy: -46.176
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.358
local terms energy: -61.980644
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -2.917
tors. eta vs tors. theta energy: 1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -317.345484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.345484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.345484 (E_RNA)
where:
Base-Base interactions energy: -207.595
where: short stacking energy: -96.542
Base-Backbone interact. energy: -0.035
local terms energy: -109.716237
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -28.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -290.926216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.926216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.926216 (E_RNA)
where:
Base-Base interactions energy: -184.726
where: short stacking energy: -96.507
Base-Backbone interact. energy: -0.010
local terms energy: -106.189991
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -28.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -289.143560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.143560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.143560 (E_RNA)
where:
Base-Base interactions energy: -195.263
where: short stacking energy: -93.439
Base-Backbone interact. energy: -0.749
local terms energy: -93.131173
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -24.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -250.541045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.541045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.541045 (E_RNA)
where:
Base-Base interactions energy: -160.470
where: short stacking energy: -81.930
Base-Backbone interact. energy: -0.062
local terms energy: -90.009106
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -24.327
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -229.906724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.906724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.906724 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -71.029
Base-Backbone interact. energy: -0.849
local terms energy: -95.815329
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -16.239
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: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -179.493722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.493722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.493722 (E_RNA)
where:
Base-Base interactions energy: -95.330
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.476
local terms energy: -83.687177
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -9.947
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: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -117.641903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.641903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.641903 (E_RNA)
where:
Base-Base interactions energy: -50.647
where: short stacking energy: -45.366
Base-Backbone interact. energy: 3.291
local terms energy: -70.285933
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -111.508702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.508702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.508702 (E_RNA)
where:
Base-Base interactions energy: -34.506
where: short stacking energy: -30.073
Base-Backbone interact. energy: -0.225
local terms energy: -76.777948
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -10.718
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: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -106.636852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.636852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.636852 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -29.763
Base-Backbone interact. energy: -0.506
local terms energy: -71.573220
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -99.167463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.167463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.167463 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -39.141
Base-Backbone interact. energy: 1.481
local terms energy: -61.507002
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -321.647523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.647523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.647523 (E_RNA)
where:
Base-Base interactions energy: -218.161
where: short stacking energy: -108.716
Base-Backbone interact. energy: -0.538
local terms energy: -102.948070
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -27.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -282.715516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.715516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.715516 (E_RNA)
where:
Base-Base interactions energy: -177.062
where: short stacking energy: -84.404
Base-Backbone interact. energy: -0.669
local terms energy: -104.984499
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -24.024
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: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -286.181273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.181273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.181273 (E_RNA)
where:
Base-Base interactions energy: -173.294
where: short stacking energy: -95.961
Base-Backbone interact. energy: -0.506
local terms energy: -112.381122
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -29.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -242.949036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.949036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.949036 (E_RNA)
where:
Base-Base interactions energy: -151.495
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.110
local terms energy: -91.343935
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -262.400153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.400153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.400153 (E_RNA)
where:
Base-Base interactions energy: -170.149
where: short stacking energy: -92.785
Base-Backbone interact. energy: -0.676
local terms energy: -91.576059
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -22.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -139.771173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.771173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.771173 (E_RNA)
where:
Base-Base interactions energy: -60.008
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.087
local terms energy: -79.676706
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -179.628904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.628904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.628904 (E_RNA)
where:
Base-Base interactions energy: -98.282
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.123
local terms energy: -81.223431
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -112.411053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.411053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.411053 (E_RNA)
where:
Base-Base interactions energy: -44.342
where: short stacking energy: -43.585
Base-Backbone interact. energy: -0.145
local terms energy: -67.923797
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.837
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: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -105.804773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.804773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.804773 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.194
local terms energy: -69.502913
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -107.468875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.468875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.468875 (E_RNA)
where:
Base-Base interactions energy: -40.914
where: short stacking energy: -27.267
Base-Backbone interact. energy: -0.295
local terms energy: -66.260709
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -302.233548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.233548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.233548 (E_RNA)
where:
Base-Base interactions energy: -196.550
where: short stacking energy: -93.048
Base-Backbone interact. energy: -1.880
local terms energy: -103.803763
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -11.452
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -312.803762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.803762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.803762 (E_RNA)
where:
Base-Base interactions energy: -208.561
where: short stacking energy: -101.851
Base-Backbone interact. energy: -0.008
local terms energy: -104.234246
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -29.616
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: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -284.262698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.262698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.262698 (E_RNA)
where:
Base-Base interactions energy: -177.644
where: short stacking energy: -106.054
Base-Backbone interact. energy: -0.167
local terms energy: -106.451666
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -28.481
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: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -252.287471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.287471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.287471 (E_RNA)
where:
Base-Base interactions energy: -154.930
where: short stacking energy: -87.264
Base-Backbone interact. energy: -0.079
local terms energy: -97.278929
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -246.240186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.240186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.240186 (E_RNA)
where:
Base-Base interactions energy: -166.467
where: short stacking energy: -83.061
Base-Backbone interact. energy: 1.194
local terms energy: -80.966399
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -137.031116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.031116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.031116 (E_RNA)
where:
Base-Base interactions energy: -61.108
where: short stacking energy: -63.708
Base-Backbone interact. energy: -0.004
local terms energy: -75.918913
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -135.506988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.506988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.506988 (E_RNA)
where:
Base-Base interactions energy: -70.347
where: short stacking energy: -37.746
Base-Backbone interact. energy: 0.036
local terms energy: -65.196249
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -8.956
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: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -108.879946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.879946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.879946 (E_RNA)
where:
Base-Base interactions energy: -41.489
where: short stacking energy: -24.382
Base-Backbone interact. energy: -1.740
local terms energy: -65.651021
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: 2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -107.446852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.446852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.446852 (E_RNA)
where:
Base-Base interactions energy: -38.790
where: short stacking energy: -38.081
Base-Backbone interact. energy: -0.348
local terms energy: -68.308777
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -4.546
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: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -97.440556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.440556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.440556 (E_RNA)
where:
Base-Base interactions energy: -32.319
where: short stacking energy: -29.148
Base-Backbone interact. energy: 0.087
local terms energy: -65.208546
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -305.757870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.757870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.757870 (E_RNA)
where:
Base-Base interactions energy: -192.878
where: short stacking energy: -96.550
Base-Backbone interact. energy: -0.058
local terms energy: -112.821745
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -316.683293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.683293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.683293 (E_RNA)
where:
Base-Base interactions energy: -208.068
where: short stacking energy: -100.484
Base-Backbone interact. energy: -0.164
local terms energy: -108.451661
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -278.886994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.886994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.886994 (E_RNA)
where:
Base-Base interactions energy: -171.778
where: short stacking energy: -91.446
Base-Backbone interact. energy: -2.067
local terms energy: -105.042649
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -27.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -246.253093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.253093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.253093 (E_RNA)
where:
Base-Base interactions energy: -152.022
where: short stacking energy: -84.066
Base-Backbone interact. energy: -0.021
local terms energy: -94.210088
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -240.824585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.824585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.824585 (E_RNA)
where:
Base-Base interactions energy: -160.919
where: short stacking energy: -78.585
Base-Backbone interact. energy: 0.620
local terms energy: -80.525567
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -16.872
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: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -149.029116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.029116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.029116 (E_RNA)
where:
Base-Base interactions energy: -70.504
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.237
local terms energy: -78.288134
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -135.983211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.983211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.983211 (E_RNA)
where:
Base-Base interactions energy: -57.458
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.135
local terms energy: -78.389273
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: -16.026
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: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -119.524951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.524951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.524951 (E_RNA)
where:
Base-Base interactions energy: -47.194
where: short stacking energy: -40.050
Base-Backbone interact. energy: -0.022
local terms energy: -72.308695
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -104.438918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.438918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.438918 (E_RNA)
where:
Base-Base interactions energy: -49.814
where: short stacking energy: -38.340
Base-Backbone interact. energy: -0.639
local terms energy: -53.985437
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -110.527003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.527003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.527003 (E_RNA)
where:
Base-Base interactions energy: -48.977
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.263
local terms energy: -61.286877
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -316.465373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.465373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.465373 (E_RNA)
where:
Base-Base interactions energy: -211.660
where: short stacking energy: -99.017
Base-Backbone interact. energy: -1.200
local terms energy: -103.604918
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -25.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -286.942106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.942106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.942106 (E_RNA)
where:
Base-Base interactions energy: -183.980
where: short stacking energy: -87.710
Base-Backbone interact. energy: -0.898
local terms energy: -102.063914
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -25.866
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: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -282.851176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.851176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.851176 (E_RNA)
where:
Base-Base interactions energy: -182.280
where: short stacking energy: -89.966
Base-Backbone interact. energy: -0.512
local terms energy: -100.058970
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -30.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -233.339016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.339016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.339016 (E_RNA)
where:
Base-Base interactions energy: -149.548
where: short stacking energy: -78.301
Base-Backbone interact. energy: -0.516
local terms energy: -83.275044
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -263.116849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.116849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.116849 (E_RNA)
where:
Base-Base interactions energy: -169.568
where: short stacking energy: -71.607
Base-Backbone interact. energy: -0.828
local terms energy: -92.720521
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -138.699764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.699764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.699764 (E_RNA)
where:
Base-Base interactions energy: -58.505
where: short stacking energy: -50.675
Base-Backbone interact. energy: -2.700
local terms energy: -77.494435
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -12.164
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: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -122.955233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.955233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.955233 (E_RNA)
where:
Base-Base interactions energy: -44.109
where: short stacking energy: -43.041
Base-Backbone interact. energy: -0.130
local terms energy: -78.716267
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -133.263161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.263161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.263161 (E_RNA)
where:
Base-Base interactions energy: -60.450
where: short stacking energy: -54.905
Base-Backbone interact. energy: 3.217
local terms energy: -76.030028
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -102.615080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.615080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.615080 (E_RNA)
where:
Base-Base interactions energy: -39.405
where: short stacking energy: -35.930
Base-Backbone interact. energy: 0.132
local terms energy: -63.342111
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -114.162440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.162440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.162440 (E_RNA)
where:
Base-Base interactions energy: -45.278
where: short stacking energy: -30.598
Base-Backbone interact. energy: -1.455
local terms energy: -67.428545
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -309.727183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.727183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.727183 (E_RNA)
where:
Base-Base interactions energy: -204.494
where: short stacking energy: -92.805
Base-Backbone interact. energy: -0.086
local terms energy: -105.147516
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -18.450
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: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -281.736275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.736275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.736275 (E_RNA)
where:
Base-Base interactions energy: -169.358
where: short stacking energy: -86.010
Base-Backbone interact. energy: -0.235
local terms energy: -112.143359
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -296.820783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.820783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.820783 (E_RNA)
where:
Base-Base interactions energy: -191.776
where: short stacking energy: -88.194
Base-Backbone interact. energy: -0.616
local terms energy: -104.428526
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -26.359
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: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -267.453193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.453193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.453193 (E_RNA)
where:
Base-Base interactions energy: -170.647
where: short stacking energy: -82.150
Base-Backbone interact. energy: -0.886
local terms energy: -95.920778
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -20.006
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: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -230.840616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.840616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.840616 (E_RNA)
where:
Base-Base interactions energy: -143.444
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.027
local terms energy: -87.369180
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -12.725
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: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -141.609051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.609051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.609051 (E_RNA)
where:
Base-Base interactions energy: -62.574
where: short stacking energy: -61.758
Base-Backbone interact. energy: -0.032
local terms energy: -79.003319
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -9.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -139.403266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.403266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.403266 (E_RNA)
where:
Base-Base interactions energy: -70.791
where: short stacking energy: -39.340
Base-Backbone interact. energy: 0.777
local terms energy: -69.389399
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -114.169416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.169416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.169416 (E_RNA)
where:
Base-Base interactions energy: -39.856
where: short stacking energy: -36.538
Base-Backbone interact. energy: -1.256
local terms energy: -73.057772
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -99.985097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.985097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.985097 (E_RNA)
where:
Base-Base interactions energy: -28.052
where: short stacking energy: -22.564
Base-Backbone interact. energy: -1.382
local terms energy: -70.550978
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -24.074
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: 3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -132.707469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.707469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.707469 (E_RNA)
where:
Base-Base interactions energy: -59.819
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.342
local terms energy: -72.545939
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -5.793
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: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -317.708580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.708580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.708580 (E_RNA)
where:
Base-Base interactions energy: -211.958
where: short stacking energy: -97.129
Base-Backbone interact. energy: -0.244
local terms energy: -105.505939
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -26.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -291.306838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.306838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.306838 (E_RNA)
where:
Base-Base interactions energy: -181.886
where: short stacking energy: -87.401
Base-Backbone interact. energy: -0.345
local terms energy: -109.076039
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -30.641
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: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -294.467980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.467980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.467980 (E_RNA)
where:
Base-Base interactions energy: -192.178
where: short stacking energy: -89.423
Base-Backbone interact. energy: -0.728
local terms energy: -101.562239
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -25.004
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: 54
Temperature: 1.050000
Total energy: -245.513386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.513386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.513386 (E_RNA)
where:
Base-Base interactions energy: -160.402
where: short stacking energy: -75.681
Base-Backbone interact. energy: 0.144
local terms energy: -85.255198
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -5.653
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: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -238.729457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.729457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.729457 (E_RNA)
where:
Base-Base interactions energy: -146.195
where: short stacking energy: -67.956
Base-Backbone interact. energy: -1.031
local terms energy: -91.504087
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -136.273536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.273536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.273536 (E_RNA)
where:
Base-Base interactions energy: -58.193
where: short stacking energy: -58.193
Base-Backbone interact. energy: 0.541
local terms energy: -78.620635
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -6.041
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: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -133.787226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.787226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.787226 (E_RNA)
where:
Base-Base interactions energy: -58.759
where: short stacking energy: -50.481
Base-Backbone interact. energy: -0.003
local terms energy: -75.025398
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -7.416
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: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -150.459747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.459747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.459747 (E_RNA)
where:
Base-Base interactions energy: -73.108
where: short stacking energy: -40.017
Base-Backbone interact. energy: 0.317
local terms energy: -77.668738
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -12.066
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: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -105.883905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.883905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.883905 (E_RNA)
where:
Base-Base interactions energy: -50.317
where: short stacking energy: -32.060
Base-Backbone interact. energy: -0.409
local terms energy: -55.157251
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -110.296087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.296087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.296087 (E_RNA)
where:
Base-Base interactions energy: -46.281
where: short stacking energy: -36.995
Base-Backbone interact. energy: -0.181
local terms energy: -63.834955
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -303.680258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.680258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.680258 (E_RNA)
where:
Base-Base interactions energy: -198.961
where: short stacking energy: -92.106
Base-Backbone interact. energy: -1.441
local terms energy: -103.277506
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -22.158
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: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -292.922019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.922019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.922019 (E_RNA)
where:
Base-Base interactions energy: -198.121
where: short stacking energy: -92.623
Base-Backbone interact. energy: -0.103
local terms energy: -94.698608
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -301.813398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.813398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.813398 (E_RNA)
where:
Base-Base interactions energy: -187.851
where: short stacking energy: -95.110
Base-Backbone interact. energy: -0.452
local terms energy: -113.510809
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -31.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -243.474606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.474606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.474606 (E_RNA)
where:
Base-Base interactions energy: -150.910
where: short stacking energy: -75.116
Base-Backbone interact. energy: 0.116
local terms energy: -92.680369
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -235.994590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.994590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.994590 (E_RNA)
where:
Base-Base interactions energy: -146.200
where: short stacking energy: -63.184
Base-Backbone interact. energy: -1.418
local terms energy: -88.376632
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -15.733
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: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -127.264840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.264840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.264840 (E_RNA)
where:
Base-Base interactions energy: -54.283
where: short stacking energy: -50.473
Base-Backbone interact. energy: -1.051
local terms energy: -71.931134
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -109.573350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.573350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.573350 (E_RNA)
where:
Base-Base interactions energy: -37.289
where: short stacking energy: -36.296
Base-Backbone interact. energy: -0.346
local terms energy: -71.937774
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -132.708098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.708098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.708098 (E_RNA)
where:
Base-Base interactions energy: -59.224
where: short stacking energy: -39.552
Base-Backbone interact. energy: -2.732
local terms energy: -70.752072
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -104.967907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.967907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.967907 (E_RNA)
where:
Base-Base interactions energy: -40.356
where: short stacking energy: -29.981
Base-Backbone interact. energy: -1.433
local terms energy: -63.179105
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -96.355142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.355142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.355142 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -36.277
Base-Backbone interact. energy: -0.329
local terms energy: -59.428532
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -306.408153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.408153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.408153 (E_RNA)
where:
Base-Base interactions energy: -201.382
where: short stacking energy: -100.776
Base-Backbone interact. energy: 0.430
local terms energy: -105.455931
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -27.143
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: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -296.215457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.215457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.215457 (E_RNA)
where:
Base-Base interactions energy: -188.936
where: short stacking energy: -91.685
Base-Backbone interact. energy: -0.318
local terms energy: -106.962181
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -26.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -289.380152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.380152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.380152 (E_RNA)
where:
Base-Base interactions energy: -179.655
where: short stacking energy: -93.413
Base-Backbone interact. energy: -0.803
local terms energy: -108.922369
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -31.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -245.185740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.185740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.185740 (E_RNA)
where:
Base-Base interactions energy: -146.412
where: short stacking energy: -85.034
Base-Backbone interact. energy: -0.426
local terms energy: -98.348002
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -240.235611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.235611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.235611 (E_RNA)
where:
Base-Base interactions energy: -160.140
where: short stacking energy: -64.728
Base-Backbone interact. energy: -0.448
local terms energy: -79.647239
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -122.286182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.286182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.286182 (E_RNA)
where:
Base-Base interactions energy: -47.624
where: short stacking energy: -47.624
Base-Backbone interact. energy: -0.092
local terms energy: -74.570894
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -158.446425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.446425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.446425 (E_RNA)
where:
Base-Base interactions energy: -96.433
where: short stacking energy: -48.620
Base-Backbone interact. energy: 0.367
local terms energy: -62.380982
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -111.886134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.886134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.886134 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.603
local terms energy: -74.829291
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -105.727207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.727207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.727207 (E_RNA)
where:
Base-Base interactions energy: -44.511
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.207
local terms energy: -61.009248
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -2.794
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: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -108.528754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.528754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.528754 (E_RNA)
where:
Base-Base interactions energy: -36.007
where: short stacking energy: -36.007
Base-Backbone interact. energy: -1.625
local terms energy: -70.897392
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -308.237400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.237400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.237400 (E_RNA)
where:
Base-Base interactions energy: -203.751
where: short stacking energy: -96.470
Base-Backbone interact. energy: -0.316
local terms energy: -104.170344
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -25.023
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: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -280.950454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.950454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.950454 (E_RNA)
where:
Base-Base interactions energy: -180.206
where: short stacking energy: -83.567
Base-Backbone interact. energy: -0.182
local terms energy: -100.562577
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -25.146
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -300.076261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.076261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.076261 (E_RNA)
where:
Base-Base interactions energy: -198.998
where: short stacking energy: -91.172
Base-Backbone interact. energy: -4.172
local terms energy: -96.906043
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -27.389
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: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -268.781554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.781554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.781554 (E_RNA)
where:
Base-Base interactions energy: -177.887
where: short stacking energy: -92.608
Base-Backbone interact. energy: -1.011
local terms energy: -89.883385
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -23.491
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: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -212.562713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.562713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.562713 (E_RNA)
where:
Base-Base interactions energy: -129.107
where: short stacking energy: -63.971
Base-Backbone interact. energy: -0.867
local terms energy: -82.589223
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -174.905508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.905508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.905508 (E_RNA)
where:
Base-Base interactions energy: -91.055
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.096
local terms energy: -83.754311
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -10.678
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: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -125.096329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.096329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.096329 (E_RNA)
where:
Base-Base interactions energy: -50.989
where: short stacking energy: -45.006
Base-Backbone interact. energy: 1.713
local terms energy: -75.821113
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -125.234690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.234690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.234690 (E_RNA)
where:
Base-Base interactions energy: -42.959
where: short stacking energy: -39.393
Base-Backbone interact. energy: -1.177
local terms energy: -81.098968
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -22.030
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -110.878477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.878477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.878477 (E_RNA)
where:
Base-Base interactions energy: -36.818
where: short stacking energy: -29.300
Base-Backbone interact. energy: -0.190
local terms energy: -73.869898
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -108.049163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.049163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.049163 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -28.599
Base-Backbone interact. energy: -0.935
local terms energy: -75.664429
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -12.810
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: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -311.133291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.133291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.133291 (E_RNA)
where:
Base-Base interactions energy: -206.398
where: short stacking energy: -102.364
Base-Backbone interact. energy: -0.320
local terms energy: -104.415845
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -296.348455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.348455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.348455 (E_RNA)
where:
Base-Base interactions energy: -183.595
where: short stacking energy: -88.153
Base-Backbone interact. energy: -0.031
local terms energy: -112.721775
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -24.896
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -31.187
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: 58
Temperature: 1.000000
Total energy: -305.071892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.071892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.071892 (E_RNA)
where:
Base-Base interactions energy: -202.391
where: short stacking energy: -97.194
Base-Backbone interact. energy: -1.316
local terms energy: -101.365652
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -29.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -260.663919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.663919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.663919 (E_RNA)
where:
Base-Base interactions energy: -165.433
where: short stacking energy: -88.180
Base-Backbone interact. energy: -0.359
local terms energy: -94.871190
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -199.523990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.523990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.523990 (E_RNA)
where:
Base-Base interactions energy: -113.761
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.012
local terms energy: -85.751453
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -13.670
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: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -227.530720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.530720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.530720 (E_RNA)
where:
Base-Base interactions energy: -138.151
where: short stacking energy: -73.036
Base-Backbone interact. energy: -0.193
local terms energy: -89.185773
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -118.866852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.866852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.866852 (E_RNA)
where:
Base-Base interactions energy: -51.050
where: short stacking energy: -29.249
Base-Backbone interact. energy: -0.331
local terms energy: -67.485740
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -0.838
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -119.852625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.852625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.852625 (E_RNA)
where:
Base-Base interactions energy: -49.754
where: short stacking energy: -32.162
Base-Backbone interact. energy: -0.519
local terms energy: -69.579817
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -106.841655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.841655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.841655 (E_RNA)
where:
Base-Base interactions energy: -48.134
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.380
local terms energy: -58.328064
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: 2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -101.218673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.218673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.218673 (E_RNA)
where:
Base-Base interactions energy: -32.001
where: short stacking energy: -32.001
Base-Backbone interact. energy: -0.204
local terms energy: -69.013609
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -315.762129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.762129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.762129 (E_RNA)
where:
Base-Base interactions energy: -208.102
where: short stacking energy: -100.995
Base-Backbone interact. energy: -0.189
local terms energy: -107.471077
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -26.145
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: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -312.913265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.913265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.913265 (E_RNA)
where:
Base-Base interactions energy: -212.053
where: short stacking energy: -96.704
Base-Backbone interact. energy: -1.068
local terms energy: -99.792173
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -27.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -288.541528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.541528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.541528 (E_RNA)
where:
Base-Base interactions energy: -183.105
where: short stacking energy: -87.430
Base-Backbone interact. energy: -0.257
local terms energy: -105.179670
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -24.456
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -257.030059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.030059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.030059 (E_RNA)
where:
Base-Base interactions energy: -178.071
where: short stacking energy: -76.905
Base-Backbone interact. energy: -1.061
local terms energy: -77.898469
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -181.292297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.292297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.292297 (E_RNA)
where:
Base-Base interactions energy: -106.982
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.197
local terms energy: -74.113825
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -12.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -167.691667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.691667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.691667 (E_RNA)
where:
Base-Base interactions energy: -90.742
where: short stacking energy: -48.421
Base-Backbone interact. energy: 0.503
local terms energy: -77.452392
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -10.261
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: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -122.364679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.364679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.364679 (E_RNA)
where:
Base-Base interactions energy: -50.496
where: short stacking energy: -50.496
Base-Backbone interact. energy: 0.733
local terms energy: -72.602288
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -6.106
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: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -142.980637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.980637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.980637 (E_RNA)
where:
Base-Base interactions energy: -67.701
where: short stacking energy: -37.529
Base-Backbone interact. energy: -0.146
local terms energy: -75.133225
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -10.197
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: 59
Temperature: 1.300000
Total energy: -103.172610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.172610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.172610 (E_RNA)
where:
Base-Base interactions energy: -30.914
where: short stacking energy: -29.731
Base-Backbone interact. energy: -0.658
local terms energy: -71.601011
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -109.578848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.578848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.578848 (E_RNA)
where:
Base-Base interactions energy: -51.449
where: short stacking energy: -36.015
Base-Backbone interact. energy: 2.895
local terms energy: -61.025329
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -3.899
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -319.817528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.817528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.817528 (E_RNA)
where:
Base-Base interactions energy: -206.173
where: short stacking energy: -97.582
Base-Backbone interact. energy: -0.442
local terms energy: -113.202645
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -24.743
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -26.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -315.009749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.009749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.009749 (E_RNA)
where:
Base-Base interactions energy: -213.599
where: short stacking energy: -97.232
Base-Backbone interact. energy: -2.088
local terms energy: -99.322816
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -294.857126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.857126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.857126 (E_RNA)
where:
Base-Base interactions energy: -183.896
where: short stacking energy: -90.755
Base-Backbone interact. energy: -0.692
local terms energy: -110.268579
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -30.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -245.004030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.004030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.004030 (E_RNA)
where:
Base-Base interactions energy: -163.580
where: short stacking energy: -70.520
Base-Backbone interact. energy: -0.651
local terms energy: -80.772546
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -218.205930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.205930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.205930 (E_RNA)
where:
Base-Base interactions energy: -125.318
where: short stacking energy: -63.351
Base-Backbone interact. energy: 0.302
local terms energy: -93.189597
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -15.195
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: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -169.974443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.974443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.974443 (E_RNA)
where:
Base-Base interactions energy: -87.478
where: short stacking energy: -55.737
Base-Backbone interact. energy: -0.063
local terms energy: -82.433794
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -123.468035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.468035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.468035 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -38.727
Base-Backbone interact. energy: 1.668
local terms energy: -82.559322
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -136.801123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.801123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.801123 (E_RNA)
where:
Base-Base interactions energy: -65.674
where: short stacking energy: -35.444
Base-Backbone interact. energy: -0.635
local terms energy: -70.491212
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -1.200
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: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -96.101212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.101212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.101212 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -25.609
Base-Backbone interact. energy: -1.340
local terms energy: -59.080255
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: 8.517
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: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -112.759422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.759422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.759422 (E_RNA)
where:
Base-Base interactions energy: -53.956
where: short stacking energy: -39.900
Base-Backbone interact. energy: -1.624
local terms energy: -57.179200
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -1.617
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: 61
Temperature: 0.900000
Total energy: -313.605918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.605918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.605918 (E_RNA)
where:
Base-Base interactions energy: -205.277
where: short stacking energy: -96.280
Base-Backbone interact. energy: -0.693
local terms energy: -107.635506
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -312.918261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.918261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.918261 (E_RNA)
where:
Base-Base interactions energy: -208.773
where: short stacking energy: -83.870
Base-Backbone interact. energy: -0.907
local terms energy: -103.238096
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -24.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -266.478220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.478220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.478220 (E_RNA)
where:
Base-Base interactions energy: -174.840
where: short stacking energy: -84.074
Base-Backbone interact. energy: 0.089
local terms energy: -91.728049
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -25.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -265.279371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.279371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.279371 (E_RNA)
where:
Base-Base interactions energy: -155.947
where: short stacking energy: -81.130
Base-Backbone interact. energy: -0.606
local terms energy: -108.726747
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -26.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -241.459724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.459724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.459724 (E_RNA)
where:
Base-Base interactions energy: -155.765
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.793
local terms energy: -84.901482
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -16.116
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: 61
Temperature: 1.150000
Total energy: -174.303994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.303994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.303994 (E_RNA)
where:
Base-Base interactions energy: -91.728
where: short stacking energy: -61.293
Base-Backbone interact. energy: -1.097
local terms energy: -81.478861
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -119.906964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.906964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.906964 (E_RNA)
where:
Base-Base interactions energy: -46.611
where: short stacking energy: -41.727
Base-Backbone interact. energy: 0.085
local terms energy: -73.380977
where:
bonds (distance) C4'-P energy: -21.166
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -12.008
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: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -114.456745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.456745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.456745 (E_RNA)
where:
Base-Base interactions energy: -49.602
where: short stacking energy: -45.361
Base-Backbone interact. energy: -0.583
local terms energy: -64.271947
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -1.982
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -125.714209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.714209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.714209 (E_RNA)
where:
Base-Base interactions energy: -44.214
where: short stacking energy: -34.106
Base-Backbone interact. energy: -0.514
local terms energy: -80.986475
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -96.507749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.507749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.507749 (E_RNA)
where:
Base-Base interactions energy: -30.371
where: short stacking energy: -26.461
Base-Backbone interact. energy: 0.107
local terms energy: -66.243887
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -5.513
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: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -316.971703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.971703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.971703 (E_RNA)
where:
Base-Base interactions energy: -210.267
where: short stacking energy: -89.753
Base-Backbone interact. energy: -1.432
local terms energy: -105.272816
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -304.878439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.878439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.878439 (E_RNA)
where:
Base-Base interactions energy: -204.614
where: short stacking energy: -94.937
Base-Backbone interact. energy: -1.262
local terms energy: -99.001791
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -26.681
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: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -258.271453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.271453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.271453 (E_RNA)
where:
Base-Base interactions energy: -174.134
where: short stacking energy: -92.417
Base-Backbone interact. energy: -0.265
local terms energy: -83.872063
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -227.599587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.599587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.599587 (E_RNA)
where:
Base-Base interactions energy: -134.278
where: short stacking energy: -67.790
Base-Backbone interact. energy: -0.183
local terms energy: -93.138179
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -222.705343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.705343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.705343 (E_RNA)
where:
Base-Base interactions energy: -138.606
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.618
local terms energy: -83.480923
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -11.139
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: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -177.330481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.330481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.330481 (E_RNA)
where:
Base-Base interactions energy: -97.770
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.733
local terms energy: -78.826934
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -135.228449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.228449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.228449 (E_RNA)
where:
Base-Base interactions energy: -60.240
where: short stacking energy: -51.098
Base-Backbone interact. energy: -2.555
local terms energy: -72.433716
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -115.453888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.453888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.453888 (E_RNA)
where:
Base-Base interactions energy: -50.987
where: short stacking energy: -49.794
Base-Backbone interact. energy: -0.142
local terms energy: -64.324629
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -107.699650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.699650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.699650 (E_RNA)
where:
Base-Base interactions energy: -38.375
where: short stacking energy: -35.121
Base-Backbone interact. energy: -0.792
local terms energy: -68.533601
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -104.955105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.955105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.955105 (E_RNA)
where:
Base-Base interactions energy: -38.231
where: short stacking energy: -31.202
Base-Backbone interact. energy: -1.792
local terms energy: -64.932238
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -317.346949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.346949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.346949 (E_RNA)
where:
Base-Base interactions energy: -210.358
where: short stacking energy: -87.450
Base-Backbone interact. energy: -0.521
local terms energy: -106.467281
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -298.482283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.482283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.482283 (E_RNA)
where:
Base-Base interactions energy: -193.295
where: short stacking energy: -89.925
Base-Backbone interact. energy: -0.380
local terms energy: -104.807559
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -305.632463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.632463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.632463 (E_RNA)
where:
Base-Base interactions energy: -204.607
where: short stacking energy: -95.702
Base-Backbone interact. energy: -1.038
local terms energy: -99.987731
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -24.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -196.721545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.721545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.721545 (E_RNA)
where:
Base-Base interactions energy: -114.747
where: short stacking energy: -76.020
Base-Backbone interact. energy: -0.045
local terms energy: -81.929030
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -12.467
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: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -209.157426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.157426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.157426 (E_RNA)
where:
Base-Base interactions energy: -121.838
where: short stacking energy: -73.885
Base-Backbone interact. energy: -0.171
local terms energy: -87.148157
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -22.213
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: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -137.543773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.543773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.543773 (E_RNA)
where:
Base-Base interactions energy: -65.719
where: short stacking energy: -61.330
Base-Backbone interact. energy: -0.262
local terms energy: -71.562533
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -10.958
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: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -154.628702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.628702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.628702 (E_RNA)
where:
Base-Base interactions energy: -90.577
where: short stacking energy: -32.802
Base-Backbone interact. energy: -1.024
local terms energy: -63.028028
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -110.757535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.757535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.757535 (E_RNA)
where:
Base-Base interactions energy: -39.097
where: short stacking energy: -39.597
Base-Backbone interact. energy: -0.944
local terms energy: -70.716698
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -109.719622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.719622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.719622 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.275
local terms energy: -71.694154
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -97.822845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.822845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.822845 (E_RNA)
where:
Base-Base interactions energy: -32.751
where: short stacking energy: -32.851
Base-Backbone interact. energy: -0.257
local terms energy: -64.814438
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -310.818395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.818395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.818395 (E_RNA)
where:
Base-Base interactions energy: -207.031
where: short stacking energy: -91.747
Base-Backbone interact. energy: -0.152
local terms energy: -103.635129
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -321.500835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.500835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.500835 (E_RNA)
where:
Base-Base interactions energy: -212.284
where: short stacking energy: -78.966
Base-Backbone interact. energy: -0.621
local terms energy: -108.595078
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -28.006
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: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -299.641666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.641666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.641666 (E_RNA)
where:
Base-Base interactions energy: -196.128
where: short stacking energy: -93.782
Base-Backbone interact. energy: 0.094
local terms energy: -103.607508
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -26.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -197.205211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.205211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.205211 (E_RNA)
where:
Base-Base interactions energy: -107.309
where: short stacking energy: -61.595
Base-Backbone interact. energy: -0.038
local terms energy: -89.858548
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -216.385441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.385441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.385441 (E_RNA)
where:
Base-Base interactions energy: -123.635
where: short stacking energy: -73.093
Base-Backbone interact. energy: -0.067
local terms energy: -92.683561
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -18.269
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: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -139.694081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.694081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.694081 (E_RNA)
where:
Base-Base interactions energy: -68.121
where: short stacking energy: -47.357
Base-Backbone interact. energy: -0.250
local terms energy: -71.323109
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -119.079524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.079524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.079524 (E_RNA)
where:
Base-Base interactions energy: -41.343
where: short stacking energy: -39.009
Base-Backbone interact. energy: 0.096
local terms energy: -77.832464
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -117.004682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.004682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.004682 (E_RNA)
where:
Base-Base interactions energy: -47.377
where: short stacking energy: -41.043
Base-Backbone interact. energy: 3.920
local terms energy: -73.547914
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -103.890863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.890863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.890863 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -36.937
Base-Backbone interact. energy: -0.182
local terms energy: -65.250700
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: 3.148
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: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -99.379145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.379145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.379145 (E_RNA)
where:
Base-Base interactions energy: -37.245
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.956
local terms energy: -61.178167
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: 1.087
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: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -312.864560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.864560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.864560 (E_RNA)
where:
Base-Base interactions energy: -211.107
where: short stacking energy: -95.238
Base-Backbone interact. energy: -0.815
local terms energy: -100.942792
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -17.010
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -311.131043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.131043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.131043 (E_RNA)
where:
Base-Base interactions energy: -209.013
where: short stacking energy: -101.161
Base-Backbone interact. energy: -0.197
local terms energy: -101.921228
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -309.205675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.205675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.205675 (E_RNA)
where:
Base-Base interactions energy: -205.731
where: short stacking energy: -91.091
Base-Backbone interact. energy: 0.346
local terms energy: -103.820607
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -252.380704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.380704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.380704 (E_RNA)
where:
Base-Base interactions energy: -156.128
where: short stacking energy: -88.127
Base-Backbone interact. energy: -0.237
local terms energy: -96.015798
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -195.538198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.538198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.538198 (E_RNA)
where:
Base-Base interactions energy: -111.367
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.054
local terms energy: -84.116587
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -177.799393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.799393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.799393 (E_RNA)
where:
Base-Base interactions energy: -100.625
where: short stacking energy: -54.779
Base-Backbone interact. energy: -1.298
local terms energy: -75.876206
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -148.602927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.602927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.602927 (E_RNA)
where:
Base-Base interactions energy: -78.172
where: short stacking energy: -50.778
Base-Backbone interact. energy: -0.041
local terms energy: -70.390238
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -7.163
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: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -121.644043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.644043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.644043 (E_RNA)
where:
Base-Base interactions energy: -55.977
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.217
local terms energy: -65.449872
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: 2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -107.182120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.182120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.182120 (E_RNA)
where:
Base-Base interactions energy: -38.515
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.162
local terms energy: -68.505573
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -98.012870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.012870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.012870 (E_RNA)
where:
Base-Base interactions energy: -42.699
where: short stacking energy: -37.776
Base-Backbone interact. energy: 3.046
local terms energy: -58.360044
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -317.063356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.063356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.063356 (E_RNA)
where:
Base-Base interactions energy: -212.422
where: short stacking energy: -99.304
Base-Backbone interact. energy: -0.430
local terms energy: -104.210364
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -23.541
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: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -294.895355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.895355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.895355 (E_RNA)
where:
Base-Base interactions energy: -199.184
where: short stacking energy: -89.720
Base-Backbone interact. energy: -0.114
local terms energy: -95.597136
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -19.349
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: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -307.854988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.854988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.854988 (E_RNA)
where:
Base-Base interactions energy: -213.569
where: short stacking energy: -94.440
Base-Backbone interact. energy: -0.731
local terms energy: -93.555111
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -227.372148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.372148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.372148 (E_RNA)
where:
Base-Base interactions energy: -128.104
where: short stacking energy: -77.591
Base-Backbone interact. energy: -0.478
local terms energy: -98.790316
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -194.854536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.854536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.854536 (E_RNA)
where:
Base-Base interactions energy: -117.724
where: short stacking energy: -52.936
Base-Backbone interact. energy: -0.316
local terms energy: -76.814558
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -168.441150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.441150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.441150 (E_RNA)
where:
Base-Base interactions energy: -77.391
where: short stacking energy: -43.243
Base-Backbone interact. energy: -0.798
local terms energy: -90.252189
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -23.133
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -13.975
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: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -116.187993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.187993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.187993 (E_RNA)
where:
Base-Base interactions energy: -53.815
where: short stacking energy: -40.811
Base-Backbone interact. energy: -0.966
local terms energy: -61.406844
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -164.970700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.970700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.970700 (E_RNA)
where:
Base-Base interactions energy: -83.869
where: short stacking energy: -50.645
Base-Backbone interact. energy: -0.245
local terms energy: -80.856572
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -6.681
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: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -110.059402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.059402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.059402 (E_RNA)
where:
Base-Base interactions energy: -53.924
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.358
local terms energy: -55.777100
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -114.224804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.224804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.224804 (E_RNA)
where:
Base-Base interactions energy: -47.635
where: short stacking energy: -33.335
Base-Backbone interact. energy: 1.345
local terms energy: -67.934816
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -325.333238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.333238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.333238 (E_RNA)
where:
Base-Base interactions energy: -220.215
where: short stacking energy: -103.417
Base-Backbone interact. energy: -0.853
local terms energy: -104.266022
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -25.702
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: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -314.724273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.724273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.724273 (E_RNA)
where:
Base-Base interactions energy: -206.562
where: short stacking energy: -89.354
Base-Backbone interact. energy: 1.262
local terms energy: -109.424312
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -27.359
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: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -286.456918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.456918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.456918 (E_RNA)
where:
Base-Base interactions energy: -182.870
where: short stacking energy: -78.754
Base-Backbone interact. energy: -0.044
local terms energy: -103.543033
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -215.011938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.011938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.011938 (E_RNA)
where:
Base-Base interactions energy: -118.812
where: short stacking energy: -78.212
Base-Backbone interact. energy: -0.129
local terms energy: -96.070247
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -24.059
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -13.841
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: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -215.179707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.179707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.179707 (E_RNA)
where:
Base-Base interactions energy: -139.438
where: short stacking energy: -67.752
Base-Backbone interact. energy: 0.059
local terms energy: -75.801325
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -169.892468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.892468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.892468 (E_RNA)
where:
Base-Base interactions energy: -84.881
where: short stacking energy: -47.606
Base-Backbone interact. energy: -1.311
local terms energy: -83.700504
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -21.600
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -113.576985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.576985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.576985 (E_RNA)
where:
Base-Base interactions energy: -48.994
where: short stacking energy: -40.800
Base-Backbone interact. energy: -0.831
local terms energy: -63.751114
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -112.058260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.058260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.058260 (E_RNA)
where:
Base-Base interactions energy: -38.560
where: short stacking energy: -33.151
Base-Backbone interact. energy: 0.733
local terms energy: -74.231594
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -116.334773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.334773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.334773 (E_RNA)
where:
Base-Base interactions energy: -49.732
where: short stacking energy: -26.243
Base-Backbone interact. energy: -0.377
local terms energy: -66.225717
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: 3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -106.639999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.639999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.639999 (E_RNA)
where:
Base-Base interactions energy: -46.846
where: short stacking energy: -43.272
Base-Backbone interact. energy: -0.276
local terms energy: -59.518525
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -328.753155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.753155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.753155 (E_RNA)
where:
Base-Base interactions energy: -220.377
where: short stacking energy: -101.575
Base-Backbone interact. energy: -0.408
local terms energy: -107.967944
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -20.161
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -310.558244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.558244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.558244 (E_RNA)
where:
Base-Base interactions energy: -208.047
where: short stacking energy: -88.142
Base-Backbone interact. energy: -0.009
local terms energy: -102.502559
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -21.417
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -29.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -297.212852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.212852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.212852 (E_RNA)
where:
Base-Base interactions energy: -197.298
where: short stacking energy: -82.439
Base-Backbone interact. energy: 0.208
local terms energy: -100.122805
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -23.369
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: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -215.587336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.587336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.587336 (E_RNA)
where:
Base-Base interactions energy: -120.734
where: short stacking energy: -79.912
Base-Backbone interact. energy: -0.215
local terms energy: -94.638118
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -19.970
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: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -190.155161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.155161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.155161 (E_RNA)
where:
Base-Base interactions energy: -115.518
where: short stacking energy: -62.334
Base-Backbone interact. energy: -1.659
local terms energy: -72.978552
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -10.818
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: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -159.107995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.107995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.107995 (E_RNA)
where:
Base-Base interactions energy: -85.060
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.220
local terms energy: -73.827299
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -5.464
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: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -123.431500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.431500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.431500 (E_RNA)
where:
Base-Base interactions energy: -51.470
where: short stacking energy: -38.802
Base-Backbone interact. energy: -0.291
local terms energy: -71.670811
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -114.987031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.987031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.987031 (E_RNA)
where:
Base-Base interactions energy: -52.426
where: short stacking energy: -43.136
Base-Backbone interact. energy: 1.864
local terms energy: -64.424987
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -2.719
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: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -119.505073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.505073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.505073 (E_RNA)
where:
Base-Base interactions energy: -45.526
where: short stacking energy: -43.654
Base-Backbone interact. energy: 0.182
local terms energy: -74.161502
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -97.304896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.304896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.304896 (E_RNA)
where:
Base-Base interactions energy: -41.594
where: short stacking energy: -18.994
Base-Backbone interact. energy: -0.405
local terms energy: -55.305617
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: 4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -324.022397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.022397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.022397 (E_RNA)
where:
Base-Base interactions energy: -210.544
where: short stacking energy: -101.104
Base-Backbone interact. energy: -0.126
local terms energy: -113.352854
where:
bonds (distance) C4'-P energy: -22.923
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -26.699
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: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -308.077460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.077460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.077460 (E_RNA)
where:
Base-Base interactions energy: -209.630
where: short stacking energy: -94.314
Base-Backbone interact. energy: -2.297
local terms energy: -96.150459
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -26.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -292.975552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.975552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.975552 (E_RNA)
where:
Base-Base interactions energy: -188.881
where: short stacking energy: -86.939
Base-Backbone interact. energy: -0.093
local terms energy: -104.001103
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -26.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -230.014034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.014034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.014034 (E_RNA)
where:
Base-Base interactions energy: -140.781
where: short stacking energy: -81.173
Base-Backbone interact. energy: -0.658
local terms energy: -88.574140
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -175.819708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.819708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.819708 (E_RNA)
where:
Base-Base interactions energy: -101.426
where: short stacking energy: -61.133
Base-Backbone interact. energy: -0.279
local terms energy: -74.114761
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -9.661
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: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -141.362161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.362161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.362161 (E_RNA)
where:
Base-Base interactions energy: -67.513
where: short stacking energy: -56.710
Base-Backbone interact. energy: -0.001
local terms energy: -73.847640
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -113.603140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.603140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.603140 (E_RNA)
where:
Base-Base interactions energy: -46.016
where: short stacking energy: -39.794
Base-Backbone interact. energy: 1.123
local terms energy: -68.710894
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -119.708699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.708699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.708699 (E_RNA)
where:
Base-Base interactions energy: -44.216
where: short stacking energy: -43.368
Base-Backbone interact. energy: -0.138
local terms energy: -75.354728
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -123.741375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.741375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.741375 (E_RNA)
where:
Base-Base interactions energy: -40.623
where: short stacking energy: -27.881
Base-Backbone interact. energy: 0.235
local terms energy: -83.352742
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -104.163860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.163860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.163860 (E_RNA)
where:
Base-Base interactions energy: -44.972
where: short stacking energy: -40.500
Base-Backbone interact. energy: 0.433
local terms energy: -59.625178
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: 0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -317.770889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.770889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.770889 (E_RNA)
where:
Base-Base interactions energy: -208.892
where: short stacking energy: -98.707
Base-Backbone interact. energy: -0.164
local terms energy: -108.714718
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -29.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -299.340961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.340961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.340961 (E_RNA)
where:
Base-Base interactions energy: -196.367
where: short stacking energy: -91.663
Base-Backbone interact. energy: -1.148
local terms energy: -101.826223
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -22.410
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -23.855
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: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -289.654225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.654225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.654225 (E_RNA)
where:
Base-Base interactions energy: -184.959
where: short stacking energy: -89.578
Base-Backbone interact. energy: -0.276
local terms energy: -104.419176
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -17.662
tors. eta vs tors. theta energy: -23.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -225.911582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.911582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.911582 (E_RNA)
where:
Base-Base interactions energy: -127.059
where: short stacking energy: -76.676
Base-Backbone interact. energy: -0.088
local terms energy: -98.764815
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -12.120
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: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -154.770763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.770763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.770763 (E_RNA)
where:
Base-Base interactions energy: -77.673
where: short stacking energy: -53.763
Base-Backbone interact. energy: 0.238
local terms energy: -77.335888
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -6.788
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: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -143.372638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.372638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.372638 (E_RNA)
where:
Base-Base interactions energy: -78.244
where: short stacking energy: -46.691
Base-Backbone interact. energy: -0.350
local terms energy: -64.778860
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -2.566
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: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -129.047528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.047528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.047528 (E_RNA)
where:
Base-Base interactions energy: -52.982
where: short stacking energy: -45.118
Base-Backbone interact. energy: 2.182
local terms energy: -78.247592
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -135.273646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.273646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.273646 (E_RNA)
where:
Base-Base interactions energy: -59.160
where: short stacking energy: -28.376
Base-Backbone interact. energy: -2.440
local terms energy: -73.673268
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -2.248
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: 70
Temperature: 1.300000
Total energy: -114.629402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.629402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.629402 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -36.969
Base-Backbone interact. energy: -0.366
local terms energy: -70.093270
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -101.114152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.114152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.114152 (E_RNA)
where:
Base-Base interactions energy: -31.297
where: short stacking energy: -29.366
Base-Backbone interact. energy: 0.208
local terms energy: -70.025389
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -310.492883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.492883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.492883 (E_RNA)
where:
Base-Base interactions energy: -208.479
where: short stacking energy: -94.948
Base-Backbone interact. energy: -1.585
local terms energy: -100.428803
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -23.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -292.876231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.876231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.876231 (E_RNA)
where:
Base-Base interactions energy: -195.192
where: short stacking energy: -87.395
Base-Backbone interact. energy: -0.994
local terms energy: -96.691077
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -20.902
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: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -294.745449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.745449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.745449 (E_RNA)
where:
Base-Base interactions energy: -190.163
where: short stacking energy: -84.789
Base-Backbone interact. energy: -0.409
local terms energy: -104.173520
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -220.191537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.191537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.191537 (E_RNA)
where:
Base-Base interactions energy: -138.111
where: short stacking energy: -68.941
Base-Backbone interact. energy: 2.695
local terms energy: -84.775389
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -18.978
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: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -174.791068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.791068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.791068 (E_RNA)
where:
Base-Base interactions energy: -104.650
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.496
local terms energy: -69.645452
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -178.808907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.808907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.808907 (E_RNA)
where:
Base-Base interactions energy: -106.555
where: short stacking energy: -51.061
Base-Backbone interact. energy: 0.685
local terms energy: -72.938457
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -5.312
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: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -147.283063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.283063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.283063 (E_RNA)
where:
Base-Base interactions energy: -70.153
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.143
local terms energy: -76.986594
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -110.298703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.298703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.298703 (E_RNA)
where:
Base-Base interactions energy: -44.263
where: short stacking energy: -40.550
Base-Backbone interact. energy: -0.190
local terms energy: -65.846027
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -122.758331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.758331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.758331 (E_RNA)
where:
Base-Base interactions energy: -58.989
where: short stacking energy: -43.202
Base-Backbone interact. energy: 0.084
local terms energy: -63.853223
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -103.346309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.346309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.346309 (E_RNA)
where:
Base-Base interactions energy: -47.122
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.797
local terms energy: -55.427291
where:
bonds (distance) C4'-P energy: -8.349
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -313.283791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.283791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.283791 (E_RNA)
where:
Base-Base interactions energy: -208.244
where: short stacking energy: -98.571
Base-Backbone interact. energy: -0.692
local terms energy: -104.347667
where:
bonds (distance) C4'-P energy: -20.880
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -23.540
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: 72
Temperature: 0.950000
Total energy: -314.631093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.631093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.631093 (E_RNA)
where:
Base-Base interactions energy: -207.730
where: short stacking energy: -87.509
Base-Backbone interact. energy: -1.023
local terms energy: -105.877448
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -299.242390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.242390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.242390 (E_RNA)
where:
Base-Base interactions energy: -203.810
where: short stacking energy: -96.490
Base-Backbone interact. energy: -0.053
local terms energy: -95.380026
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -25.132
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: 72
Temperature: 1.050000
Total energy: -224.315758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.315758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.315758 (E_RNA)
where:
Base-Base interactions energy: -129.114
where: short stacking energy: -64.527
Base-Backbone interact. energy: -2.821
local terms energy: -92.381037
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -190.754005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.754005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.754005 (E_RNA)
where:
Base-Base interactions energy: -113.229
where: short stacking energy: -59.591
Base-Backbone interact. energy: -1.022
local terms energy: -76.503093
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -140.547658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.547658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.547658 (E_RNA)
where:
Base-Base interactions energy: -64.368
where: short stacking energy: -43.072
Base-Backbone interact. energy: -0.708
local terms energy: -75.471637
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -140.564571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.564571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.564571 (E_RNA)
where:
Base-Base interactions energy: -66.857
where: short stacking energy: -35.229
Base-Backbone interact. energy: -1.278
local terms energy: -72.429889
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -14.735
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: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -116.636695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.636695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.636695 (E_RNA)
where:
Base-Base interactions energy: -56.113
where: short stacking energy: -43.268
Base-Backbone interact. energy: -0.178
local terms energy: -60.345278
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -100.385481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.385481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.385481 (E_RNA)
where:
Base-Base interactions energy: -43.125
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.427
local terms energy: -56.834069
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: 0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -105.038066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.038066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.038066 (E_RNA)
where:
Base-Base interactions energy: -39.955
where: short stacking energy: -37.900
Base-Backbone interact. energy: -0.491
local terms energy: -64.591849
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -321.833820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.833820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.833820 (E_RNA)
where:
Base-Base interactions energy: -215.010
where: short stacking energy: -102.048
Base-Backbone interact. energy: -1.010
local terms energy: -105.813410
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -27.325
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: 73
Temperature: 0.950000
Total energy: -315.182335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.182335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.182335 (E_RNA)
where:
Base-Base interactions energy: -204.829
where: short stacking energy: -96.692
Base-Backbone interact. energy: -1.646
local terms energy: -108.707131
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -26.505
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: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -287.280475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.280475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.280475 (E_RNA)
where:
Base-Base interactions energy: -185.101
where: short stacking energy: -88.693
Base-Backbone interact. energy: -0.001
local terms energy: -102.177894
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -220.068958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.068958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.068958 (E_RNA)
where:
Base-Base interactions energy: -126.134
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.135
local terms energy: -93.800247
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: -16.354
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: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -232.492491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.492491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.492491 (E_RNA)
where:
Base-Base interactions energy: -148.096
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.653
local terms energy: -83.743390
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -19.515
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: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -172.020016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.020016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.020016 (E_RNA)
where:
Base-Base interactions energy: -87.782
where: short stacking energy: -58.363
Base-Backbone interact. energy: -0.536
local terms energy: -83.701870
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -139.550258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.550258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.550258 (E_RNA)
where:
Base-Base interactions energy: -63.962
where: short stacking energy: -52.814
Base-Backbone interact. energy: -0.123
local terms energy: -75.465200
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -114.406831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.406831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.406831 (E_RNA)
where:
Base-Base interactions energy: -40.772
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.458
local terms energy: -73.176086
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -114.363038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.363038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.363038 (E_RNA)
where:
Base-Base interactions energy: -45.830
where: short stacking energy: -36.764
Base-Backbone interact. energy: 0.449
local terms energy: -68.982152
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -100.404480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.404480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.404480 (E_RNA)
where:
Base-Base interactions energy: -41.047
where: short stacking energy: -26.232
Base-Backbone interact. energy: 0.098
local terms energy: -59.455755
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: 4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -317.544579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.544579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.544579 (E_RNA)
where:
Base-Base interactions energy: -207.330
where: short stacking energy: -97.085
Base-Backbone interact. energy: -1.045
local terms energy: -109.170566
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -310.110626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.110626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.110626 (E_RNA)
where:
Base-Base interactions energy: -202.096
where: short stacking energy: -93.701
Base-Backbone interact. energy: -1.642
local terms energy: -106.372651
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -287.229815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.229815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.229815 (E_RNA)
where:
Base-Base interactions energy: -183.929
where: short stacking energy: -90.158
Base-Backbone interact. energy: -0.733
local terms energy: -102.568395
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -222.149609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.149609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.149609 (E_RNA)
where:
Base-Base interactions energy: -132.503
where: short stacking energy: -75.166
Base-Backbone interact. energy: -0.427
local terms energy: -89.220163
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -221.106849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.106849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.106849 (E_RNA)
where:
Base-Base interactions energy: -132.834
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.709
local terms energy: -87.564100
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -20.974
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: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -173.919107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.919107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.919107 (E_RNA)
where:
Base-Base interactions energy: -93.401
where: short stacking energy: -59.862
Base-Backbone interact. energy: -2.610
local terms energy: -77.908093
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -13.062
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: 74
Temperature: 1.200000
Total energy: -134.191850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.191850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.191850 (E_RNA)
where:
Base-Base interactions energy: -48.103
where: short stacking energy: -46.409
Base-Backbone interact. energy: -0.202
local terms energy: -85.886400
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -116.801665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.801665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.801665 (E_RNA)
where:
Base-Base interactions energy: -54.990
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.367
local terms energy: -61.444250
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -15.340
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: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -113.624603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.624603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.624603 (E_RNA)
where:
Base-Base interactions energy: -39.819
where: short stacking energy: -29.709
Base-Backbone interact. energy: -0.282
local terms energy: -73.523445
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -109.862646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.862646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.862646 (E_RNA)
where:
Base-Base interactions energy: -38.071
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.474
local terms energy: -71.317853
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -8.431
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: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -321.301448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.301448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.301448 (E_RNA)
where:
Base-Base interactions energy: -221.387
where: short stacking energy: -96.742
Base-Backbone interact. energy: -1.011
local terms energy: -98.903131
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -304.474842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.474842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.474842 (E_RNA)
where:
Base-Base interactions energy: -205.876
where: short stacking energy: -92.271
Base-Backbone interact. energy: -0.272
local terms energy: -98.327403
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -293.335803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.335803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.335803 (E_RNA)
where:
Base-Base interactions energy: -189.338
where: short stacking energy: -94.919
Base-Backbone interact. energy: -1.193
local terms energy: -102.805089
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -29.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -227.306663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.306663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.306663 (E_RNA)
where:
Base-Base interactions energy: -148.130
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.817
local terms energy: -78.359573
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -10.221
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: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -214.016048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.016048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.016048 (E_RNA)
where:
Base-Base interactions energy: -128.378
where: short stacking energy: -84.039
Base-Backbone interact. energy: -0.100
local terms energy: -85.538180
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -24.190
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: 75
Temperature: 1.150000
Total energy: -143.698592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.698592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.698592 (E_RNA)
where:
Base-Base interactions energy: -64.430
where: short stacking energy: -49.955
Base-Backbone interact. energy: -0.536
local terms energy: -78.732036
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -12.310
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: 75
Temperature: 1.200000
Total energy: -150.464822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.464822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.464822 (E_RNA)
where:
Base-Base interactions energy: -73.554
where: short stacking energy: -44.219
Base-Backbone interact. energy: -0.095
local terms energy: -76.815871
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -11.557
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: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -118.743913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.743913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.743913 (E_RNA)
where:
Base-Base interactions energy: -55.251
where: short stacking energy: -43.770
Base-Backbone interact. energy: -0.013
local terms energy: -63.480086
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -106.973668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.973668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.973668 (E_RNA)
where:
Base-Base interactions energy: -47.893
where: short stacking energy: -28.206
Base-Backbone interact. energy: -0.527
local terms energy: -58.553609
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: 3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -101.123567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.123567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.123567 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -29.294
Base-Backbone interact. energy: -0.127
local terms energy: -70.356878
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: 1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -317.617169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.617169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.617169 (E_RNA)
where:
Base-Base interactions energy: -208.454
where: short stacking energy: -93.929
Base-Backbone interact. energy: -0.260
local terms energy: -108.903197
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -297.475892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.475892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.475892 (E_RNA)
where:
Base-Base interactions energy: -196.752
where: short stacking energy: -84.131
Base-Backbone interact. energy: -0.645
local terms energy: -100.079480
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -21.854
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: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -281.629481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.629481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.629481 (E_RNA)
where:
Base-Base interactions energy: -175.588
where: short stacking energy: -82.039
Base-Backbone interact. energy: -0.021
local terms energy: -106.020709
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -26.608
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: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -246.615469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.615469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.615469 (E_RNA)
where:
Base-Base interactions energy: -154.096
where: short stacking energy: -64.015
Base-Backbone interact. energy: 0.315
local terms energy: -92.835189
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -215.050951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.050951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.050951 (E_RNA)
where:
Base-Base interactions energy: -131.627
where: short stacking energy: -76.646
Base-Backbone interact. energy: -0.705
local terms energy: -82.719147
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -13.097
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: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -128.135668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.135668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.135668 (E_RNA)
where:
Base-Base interactions energy: -64.042
where: short stacking energy: -38.051
Base-Backbone interact. energy: -1.084
local terms energy: -63.009611
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -127.161084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.161084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.161084 (E_RNA)
where:
Base-Base interactions energy: -59.493
where: short stacking energy: -45.226
Base-Backbone interact. energy: 1.190
local terms energy: -68.858798
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -139.773810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.773810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.773810 (E_RNA)
where:
Base-Base interactions energy: -62.711
where: short stacking energy: -37.086
Base-Backbone interact. energy: -0.225
local terms energy: -76.837671
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -6.434
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: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -120.089165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.089165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.089165 (E_RNA)
where:
Base-Base interactions energy: -54.937
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.002
local terms energy: -65.150034
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -106.774503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.774503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.774503 (E_RNA)
where:
Base-Base interactions energy: -40.024
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.258
local terms energy: -66.492571
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -318.133350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.133350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.133350 (E_RNA)
where:
Base-Base interactions energy: -212.515
where: short stacking energy: -91.011
Base-Backbone interact. energy: -0.908
local terms energy: -104.710947
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -24.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -307.998229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.998229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.998229 (E_RNA)
where:
Base-Base interactions energy: -204.425
where: short stacking energy: -89.267
Base-Backbone interact. energy: -0.745
local terms energy: -102.827608
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -23.470
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: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -286.586772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.586772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.586772 (E_RNA)
where:
Base-Base interactions energy: -184.795
where: short stacking energy: -78.433
Base-Backbone interact. energy: -0.290
local terms energy: -101.501301
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -23.143
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -23.367
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: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -220.368955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.368955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.368955 (E_RNA)
where:
Base-Base interactions energy: -132.594
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.293
local terms energy: -87.481968
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -13.855
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: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -240.841748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.841748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.841748 (E_RNA)
where:
Base-Base interactions energy: -147.214
where: short stacking energy: -76.434
Base-Backbone interact. energy: -0.097
local terms energy: -93.530875
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -129.435436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.435436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.435436 (E_RNA)
where:
Base-Base interactions energy: -55.709
where: short stacking energy: -40.698
Base-Backbone interact. energy: -0.119
local terms energy: -73.607330
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -0.373
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: 77
Temperature: 1.200000
Total energy: -123.310960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.310960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.310960 (E_RNA)
where:
Base-Base interactions energy: -45.456
where: short stacking energy: -43.990
Base-Backbone interact. energy: 0.723
local terms energy: -78.578803
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -141.931253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.931253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.931253 (E_RNA)
where:
Base-Base interactions energy: -76.928
where: short stacking energy: -49.741
Base-Backbone interact. energy: -0.798
local terms energy: -64.205075
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -125.494635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.494635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.494635 (E_RNA)
where:
Base-Base interactions energy: -49.574
where: short stacking energy: -31.224
Base-Backbone interact. energy: -1.538
local terms energy: -74.382760
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -9.759
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: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -113.155957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.155957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.155957 (E_RNA)
where:
Base-Base interactions energy: -52.157
where: short stacking energy: -42.829
Base-Backbone interact. energy: -0.144
local terms energy: -60.855043
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -332.303840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.303840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.303840 (E_RNA)
where:
Base-Base interactions energy: -231.211
where: short stacking energy: -103.932
Base-Backbone interact. energy: 0.368
local terms energy: -101.460727
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -29.621
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: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -305.318219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.318219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.318219 (E_RNA)
where:
Base-Base interactions energy: -211.383
where: short stacking energy: -94.336
Base-Backbone interact. energy: -0.279
local terms energy: -93.656353
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -289.120930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.120930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.120930 (E_RNA)
where:
Base-Base interactions energy: -191.579
where: short stacking energy: -91.264
Base-Backbone interact. energy: -0.100
local terms energy: -97.441134
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -26.176
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: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -205.045952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.045952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.045952 (E_RNA)
where:
Base-Base interactions energy: -123.896
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.104
local terms energy: -81.045164
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -229.737426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.737426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.737426 (E_RNA)
where:
Base-Base interactions energy: -145.163
where: short stacking energy: -72.610
Base-Backbone interact. energy: -0.206
local terms energy: -84.367716
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -12.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -173.094798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.094798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.094798 (E_RNA)
where:
Base-Base interactions energy: -94.804
where: short stacking energy: -46.561
Base-Backbone interact. energy: 1.910
local terms energy: -80.200833
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -12.238
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: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -134.741227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.741227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.741227 (E_RNA)
where:
Base-Base interactions energy: -62.246
where: short stacking energy: -58.152
Base-Backbone interact. energy: 0.470
local terms energy: -72.965298
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -115.153958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.153958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.153958 (E_RNA)
where:
Base-Base interactions energy: -51.963
where: short stacking energy: -46.826
Base-Backbone interact. energy: -0.221
local terms energy: -62.969584
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -113.197505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.197505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.197505 (E_RNA)
where:
Base-Base interactions energy: -36.140
where: short stacking energy: -35.732
Base-Backbone interact. energy: -0.682
local terms energy: -76.375631
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -101.181034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.181034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.181034 (E_RNA)
where:
Base-Base interactions energy: -39.530
where: short stacking energy: -28.593
Base-Backbone interact. energy: -0.019
local terms energy: -61.631500
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -328.212384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.212384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.212384 (E_RNA)
where:
Base-Base interactions energy: -214.658
where: short stacking energy: -99.175
Base-Backbone interact. energy: -0.414
local terms energy: -113.140441
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -298.680131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.680131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.680131 (E_RNA)
where:
Base-Base interactions energy: -204.668
where: short stacking energy: -88.683
Base-Backbone interact. energy: -0.174
local terms energy: -93.838224
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -24.483
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: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -295.724292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.724292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.724292 (E_RNA)
where:
Base-Base interactions energy: -197.735
where: short stacking energy: -88.523
Base-Backbone interact. energy: -0.015
local terms energy: -97.975074
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -24.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -245.390668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.390668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.390668 (E_RNA)
where:
Base-Base interactions energy: -159.355
where: short stacking energy: -72.211
Base-Backbone interact. energy: -0.463
local terms energy: -85.572559
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -195.549947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.549947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.549947 (E_RNA)
where:
Base-Base interactions energy: -115.353
where: short stacking energy: -69.172
Base-Backbone interact. energy: 2.716
local terms energy: -82.912980
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -184.804753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.804753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.804753 (E_RNA)
where:
Base-Base interactions energy: -105.492
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.818
local terms energy: -78.494613
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -12.908
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: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -131.295640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.295640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.295640 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -43.735
Base-Backbone interact. energy: -0.281
local terms energy: -78.979027
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -104.326170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.326170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.326170 (E_RNA)
where:
Base-Base interactions energy: -39.271
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.306
local terms energy: -64.748222
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: 0.018
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: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -115.402458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.402458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.402458 (E_RNA)
where:
Base-Base interactions energy: -55.457
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.137
local terms energy: -59.808318
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -97.888401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.888401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.888401 (E_RNA)
where:
Base-Base interactions energy: -33.452
where: short stacking energy: -26.585
Base-Backbone interact. energy: -0.433
local terms energy: -64.004034
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: 5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -314.590986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.590986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.590986 (E_RNA)
where:
Base-Base interactions energy: -203.159
where: short stacking energy: -94.221
Base-Backbone interact. energy: -0.012
local terms energy: -111.419784
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -318.513168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.513168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.513168 (E_RNA)
where:
Base-Base interactions energy: -217.556
where: short stacking energy: -97.277
Base-Backbone interact. energy: -3.733
local terms energy: -97.223584
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -23.920
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: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -294.457624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.457624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.457624 (E_RNA)
where:
Base-Base interactions energy: -196.593
where: short stacking energy: -92.631
Base-Backbone interact. energy: -0.724
local terms energy: -97.140535
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -28.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -235.334035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.334035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.334035 (E_RNA)
where:
Base-Base interactions energy: -148.901
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.352
local terms energy: -86.081426
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -206.703326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.703326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.703326 (E_RNA)
where:
Base-Base interactions energy: -124.492
where: short stacking energy: -82.382
Base-Backbone interact. energy: 1.485
local terms energy: -83.696477
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -24.072
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: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -195.174188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.174188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.174188 (E_RNA)
where:
Base-Base interactions energy: -109.710
where: short stacking energy: -75.411
Base-Backbone interact. energy: -0.432
local terms energy: -85.032340
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -19.283
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -126.387022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.387022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.387022 (E_RNA)
where:
Base-Base interactions energy: -52.579
where: short stacking energy: -52.340
Base-Backbone interact. energy: 0.184
local terms energy: -73.992456
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -118.413756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.413756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.413756 (E_RNA)
where:
Base-Base interactions energy: -46.837
where: short stacking energy: -39.817
Base-Backbone interact. energy: -0.035
local terms energy: -71.541177
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -124.862046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.862046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.862046 (E_RNA)
where:
Base-Base interactions energy: -56.239
where: short stacking energy: -46.857
Base-Backbone interact. energy: -0.402
local terms energy: -68.220362
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -101.918355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.918355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.918355 (E_RNA)
where:
Base-Base interactions energy: -42.889
where: short stacking energy: -34.513
Base-Backbone interact. energy: 0.372
local terms energy: -59.402178
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: 0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -317.830197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.830197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.830197 (E_RNA)
where:
Base-Base interactions energy: -210.270
where: short stacking energy: -91.545
Base-Backbone interact. energy: 0.278
local terms energy: -107.837872
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -313.673147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.673147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.673147 (E_RNA)
where:
Base-Base interactions energy: -207.406
where: short stacking energy: -91.350
Base-Backbone interact. energy: -0.206
local terms energy: -106.061600
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -26.685
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: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -302.617267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.617267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.617267 (E_RNA)
where:
Base-Base interactions energy: -198.042
where: short stacking energy: -92.489
Base-Backbone interact. energy: -0.012
local terms energy: -104.563255
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -232.204616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.204616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.204616 (E_RNA)
where:
Base-Base interactions energy: -148.632
where: short stacking energy: -66.513
Base-Backbone interact. energy: -1.453
local terms energy: -82.118831
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -199.766531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.766531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.766531 (E_RNA)
where:
Base-Base interactions energy: -118.048
where: short stacking energy: -57.663
Base-Backbone interact. energy: 3.369
local terms energy: -85.087452
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -16.327
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: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -178.176269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.176269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.176269 (E_RNA)
where:
Base-Base interactions energy: -97.329
where: short stacking energy: -61.858
Base-Backbone interact. energy: -1.242
local terms energy: -79.605853
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -7.080
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: 81
Temperature: 1.200000
Total energy: -115.916379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.916379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.916379 (E_RNA)
where:
Base-Base interactions energy: -39.763
where: short stacking energy: -34.253
Base-Backbone interact. energy: -0.295
local terms energy: -75.858212
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -109.448489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.448489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.448489 (E_RNA)
where:
Base-Base interactions energy: -41.994
where: short stacking energy: -39.551
Base-Backbone interact. energy: -0.218
local terms energy: -67.236274
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -101.765108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.765108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.765108 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -36.363
Base-Backbone interact. energy: 0.523
local terms energy: -65.925818
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -116.840486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.840486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.840486 (E_RNA)
where:
Base-Base interactions energy: -50.688
where: short stacking energy: -37.455
Base-Backbone interact. energy: 0.680
local terms energy: -66.833250
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -321.315810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.315810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.315810 (E_RNA)
where:
Base-Base interactions energy: -221.147
where: short stacking energy: -95.046
Base-Backbone interact. energy: -1.360
local terms energy: -98.809289
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -29.863
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: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -323.315797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.315797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.315797 (E_RNA)
where:
Base-Base interactions energy: -222.810
where: short stacking energy: -98.418
Base-Backbone interact. energy: -0.267
local terms energy: -100.238504
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -15.508
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: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -288.705198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.705198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.705198 (E_RNA)
where:
Base-Base interactions energy: -195.759
where: short stacking energy: -87.878
Base-Backbone interact. energy: -0.528
local terms energy: -92.418537
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -262.140008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.140008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.140008 (E_RNA)
where:
Base-Base interactions energy: -168.195
where: short stacking energy: -84.280
Base-Backbone interact. energy: 1.086
local terms energy: -95.030945
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -208.316569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.316569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.316569 (E_RNA)
where:
Base-Base interactions energy: -131.141
where: short stacking energy: -57.341
Base-Backbone interact. energy: -0.106
local terms energy: -77.069059
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -13.951
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: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -175.057698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.057698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.057698 (E_RNA)
where:
Base-Base interactions energy: -85.540
where: short stacking energy: -51.753
Base-Backbone interact. energy: -0.951
local terms energy: -88.567422
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -14.355
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: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -135.026846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.026846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.026846 (E_RNA)
where:
Base-Base interactions energy: -51.149
where: short stacking energy: -44.883
Base-Backbone interact. energy: -0.109
local terms energy: -83.768762
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -113.021582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.021582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.021582 (E_RNA)
where:
Base-Base interactions energy: -47.253
where: short stacking energy: -46.481
Base-Backbone interact. energy: 0.977
local terms energy: -66.745686
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -107.603360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.603360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.603360 (E_RNA)
where:
Base-Base interactions energy: -50.700
where: short stacking energy: -44.102
Base-Backbone interact. energy: -1.045
local terms energy: -55.858410
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: 2.090
tors. eta vs tors. theta energy: 0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -103.473433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.473433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.473433 (E_RNA)
where:
Base-Base interactions energy: -44.012
where: short stacking energy: -40.180
Base-Backbone interact. energy: -0.488
local terms energy: -58.973368
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -324.574374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.574374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.574374 (E_RNA)
where:
Base-Base interactions energy: -225.688
where: short stacking energy: -93.716
Base-Backbone interact. energy: -0.649
local terms energy: -98.237286
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -321.480210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.480210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.480210 (E_RNA)
where:
Base-Base interactions energy: -214.149
where: short stacking energy: -94.523
Base-Backbone interact. energy: -0.925
local terms energy: -106.406247
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -25.324
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: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -289.165929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.165929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.165929 (E_RNA)
where:
Base-Base interactions energy: -189.860
where: short stacking energy: -90.191
Base-Backbone interact. energy: 0.048
local terms energy: -99.354004
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -25.196
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: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -241.735453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.735453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.735453 (E_RNA)
where:
Base-Base interactions energy: -155.043
where: short stacking energy: -70.612
Base-Backbone interact. energy: 1.100
local terms energy: -87.793227
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -15.670
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: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -253.243701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.243701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.243701 (E_RNA)
where:
Base-Base interactions energy: -154.400
where: short stacking energy: -85.186
Base-Backbone interact. energy: -0.002
local terms energy: -98.841875
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -175.768576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.768576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.768576 (E_RNA)
where:
Base-Base interactions energy: -102.616
where: short stacking energy: -57.563
Base-Backbone interact. energy: -0.104
local terms energy: -73.048584
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -143.690961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.690961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.690961 (E_RNA)
where:
Base-Base interactions energy: -70.273
where: short stacking energy: -41.990
Base-Backbone interact. energy: -0.219
local terms energy: -73.199510
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -12.624
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: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -116.718766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.718766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.718766 (E_RNA)
where:
Base-Base interactions energy: -37.550
where: short stacking energy: -36.839
Base-Backbone interact. energy: -0.658
local terms energy: -78.510108
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -107.576082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.576082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.576082 (E_RNA)
where:
Base-Base interactions energy: -32.172
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.169
local terms energy: -75.234249
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -113.942848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.942848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.942848 (E_RNA)
where:
Base-Base interactions energy: -53.558
where: short stacking energy: -40.274
Base-Backbone interact. energy: -0.467
local terms energy: -59.918077
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -312.142416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.142416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.142416 (E_RNA)
where:
Base-Base interactions energy: -208.215
where: short stacking energy: -97.281
Base-Backbone interact. energy: -0.387
local terms energy: -103.540553
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -26.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -319.240517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.240517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.240517 (E_RNA)
where:
Base-Base interactions energy: -213.721
where: short stacking energy: -97.857
Base-Backbone interact. energy: -0.516
local terms energy: -105.003675
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -29.272
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: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -281.405282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.405282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.405282 (E_RNA)
where:
Base-Base interactions energy: -186.506
where: short stacking energy: -84.857
Base-Backbone interact. energy: -0.182
local terms energy: -94.717278
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -12.720
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: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -244.461344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.461344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.461344 (E_RNA)
where:
Base-Base interactions energy: -165.821
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.835
local terms energy: -77.805524
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -15.036
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: 84
Temperature: 1.100000
Total energy: -172.702811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.702811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.702811 (E_RNA)
where:
Base-Base interactions energy: -91.230
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.524
local terms energy: -80.949128
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -188.112123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.112123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.112123 (E_RNA)
where:
Base-Base interactions energy: -107.635
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.866
local terms energy: -79.611664
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -121.591149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.591149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.591149 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -46.816
Base-Backbone interact. energy: -0.080
local terms energy: -74.469750
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -109.561748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.561748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.561748 (E_RNA)
where:
Base-Base interactions energy: -45.496
where: short stacking energy: -38.579
Base-Backbone interact. energy: -0.431
local terms energy: -63.634755
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: 2.114
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: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -113.545617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.545617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.545617 (E_RNA)
where:
Base-Base interactions energy: -46.435
where: short stacking energy: -38.697
Base-Backbone interact. energy: -0.179
local terms energy: -66.932186
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -94.593373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.593373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.593373 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -26.141
Base-Backbone interact. energy: -0.787
local terms energy: -56.570133
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: 1.419
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: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -321.303366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.303366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.303366 (E_RNA)
where:
Base-Base interactions energy: -212.676
where: short stacking energy: -92.238
Base-Backbone interact. energy: -0.810
local terms energy: -107.817825
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -25.561
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: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -315.044457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.044457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.044457 (E_RNA)
where:
Base-Base interactions energy: -213.940
where: short stacking energy: -93.388
Base-Backbone interact. energy: -0.294
local terms energy: -100.810158
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -27.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -284.424625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.424625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.424625 (E_RNA)
where:
Base-Base interactions energy: -189.600
where: short stacking energy: -85.546
Base-Backbone interact. energy: -2.042
local terms energy: -92.782608
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -235.342637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.342637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.342637 (E_RNA)
where:
Base-Base interactions energy: -155.307
where: short stacking energy: -69.900
Base-Backbone interact. energy: 0.168
local terms energy: -80.202749
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -7.187
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: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -180.832457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.832457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.832457 (E_RNA)
where:
Base-Base interactions energy: -97.955
where: short stacking energy: -67.996
Base-Backbone interact. energy: 0.014
local terms energy: -82.891767
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -206.112561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.112561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.112561 (E_RNA)
where:
Base-Base interactions energy: -121.335
where: short stacking energy: -68.321
Base-Backbone interact. energy: -0.168
local terms energy: -84.609522
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -129.138324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.138324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.138324 (E_RNA)
where:
Base-Base interactions energy: -53.933
where: short stacking energy: -42.211
Base-Backbone interact. energy: -1.953
local terms energy: -73.252704
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -116.546308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.546308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.546308 (E_RNA)
where:
Base-Base interactions energy: -45.423
where: short stacking energy: -40.251
Base-Backbone interact. energy: -0.167
local terms energy: -70.957170
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: 3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -108.375320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.375320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.375320 (E_RNA)
where:
Base-Base interactions energy: -43.633
where: short stacking energy: -38.487
Base-Backbone interact. energy: 0.719
local terms energy: -65.460807
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -104.704667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.704667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.704667 (E_RNA)
where:
Base-Base interactions energy: -39.291
where: short stacking energy: -35.421
Base-Backbone interact. energy: 1.213
local terms energy: -66.626767
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -2.402
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: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -322.898908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.898908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.898908 (E_RNA)
where:
Base-Base interactions energy: -218.215
where: short stacking energy: -93.508
Base-Backbone interact. energy: -0.293
local terms energy: -104.390905
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -26.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -309.548078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.548078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.548078 (E_RNA)
where:
Base-Base interactions energy: -211.899
where: short stacking energy: -91.898
Base-Backbone interact. energy: -0.163
local terms energy: -97.486776
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -25.191
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: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -286.092114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.092114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.092114 (E_RNA)
where:
Base-Base interactions energy: -186.796
where: short stacking energy: -84.611
Base-Backbone interact. energy: -0.275
local terms energy: -99.020122
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -23.098
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: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -255.342336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.342336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.342336 (E_RNA)
where:
Base-Base interactions energy: -152.592
where: short stacking energy: -82.319
Base-Backbone interact. energy: -0.785
local terms energy: -101.965399
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -25.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -224.764186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.764186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.764186 (E_RNA)
where:
Base-Base interactions energy: -134.138
where: short stacking energy: -84.604
Base-Backbone interact. energy: 1.179
local terms energy: -91.804715
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -175.916387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.916387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.916387 (E_RNA)
where:
Base-Base interactions energy: -92.119
where: short stacking energy: -61.250
Base-Backbone interact. energy: -0.189
local terms energy: -83.608026
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -17.085
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: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -144.153280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.153280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.153280 (E_RNA)
where:
Base-Base interactions energy: -72.675
where: short stacking energy: -45.761
Base-Backbone interact. energy: -0.525
local terms energy: -70.953531
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -123.741136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.741136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.741136 (E_RNA)
where:
Base-Base interactions energy: -49.162
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.623
local terms energy: -73.955799
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -113.174368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.174368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.174368 (E_RNA)
where:
Base-Base interactions energy: -43.744
where: short stacking energy: -36.413
Base-Backbone interact. energy: -0.530
local terms energy: -68.900521
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -5.421
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: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -105.789345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.789345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.789345 (E_RNA)
where:
Base-Base interactions energy: -51.081
where: short stacking energy: -44.583
Base-Backbone interact. energy: -0.186
local terms energy: -54.522929
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -319.516057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.516057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.516057 (E_RNA)
where:
Base-Base interactions energy: -213.530
where: short stacking energy: -97.689
Base-Backbone interact. energy: 0.713
local terms energy: -106.698388
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -27.756
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: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -319.680231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.680231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.680231 (E_RNA)
where:
Base-Base interactions energy: -219.547
where: short stacking energy: -89.481
Base-Backbone interact. energy: -0.424
local terms energy: -99.709765
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -26.778
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: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -288.125674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.125674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.125674 (E_RNA)
where:
Base-Base interactions energy: -191.035
where: short stacking energy: -73.912
Base-Backbone interact. energy: -0.285
local terms energy: -96.806140
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -20.498
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: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -270.462405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.462405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.462405 (E_RNA)
where:
Base-Base interactions energy: -168.422
where: short stacking energy: -76.414
Base-Backbone interact. energy: -0.367
local terms energy: -101.673357
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -210.093790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.093790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.093790 (E_RNA)
where:
Base-Base interactions energy: -119.751
where: short stacking energy: -72.107
Base-Backbone interact. energy: 0.031
local terms energy: -90.373955
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -179.179744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.179744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.179744 (E_RNA)
where:
Base-Base interactions energy: -96.517
where: short stacking energy: -53.199
Base-Backbone interact. energy: -0.172
local terms energy: -82.490244
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -129.684903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.684903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.684903 (E_RNA)
where:
Base-Base interactions energy: -57.703
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.648
local terms energy: -71.334537
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -10.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -116.655711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.655711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.655711 (E_RNA)
where:
Base-Base interactions energy: -54.306
where: short stacking energy: -49.301
Base-Backbone interact. energy: -0.708
local terms energy: -61.641781
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -8.545
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: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -105.419395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.419395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.419395 (E_RNA)
where:
Base-Base interactions energy: -45.205
where: short stacking energy: -29.657
Base-Backbone interact. energy: -0.069
local terms energy: -60.145652
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -8.946
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: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -106.718120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.718120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.718120 (E_RNA)
where:
Base-Base interactions energy: -35.554
where: short stacking energy: -30.973
Base-Backbone interact. energy: -1.123
local terms energy: -70.040820
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -325.780812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.780812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.780812 (E_RNA)
where:
Base-Base interactions energy: -220.783
where: short stacking energy: -92.827
Base-Backbone interact. energy: -1.468
local terms energy: -103.528974
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -318.736913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.736913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.736913 (E_RNA)
where:
Base-Base interactions energy: -223.029
where: short stacking energy: -90.200
Base-Backbone interact. energy: -0.286
local terms energy: -95.422208
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -26.291
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: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -293.494925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.494925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.494925 (E_RNA)
where:
Base-Base interactions energy: -199.009
where: short stacking energy: -94.312
Base-Backbone interact. energy: -0.669
local terms energy: -93.816789
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -24.550
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: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -246.169362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.169362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.169362 (E_RNA)
where:
Base-Base interactions energy: -150.066
where: short stacking energy: -73.204
Base-Backbone interact. energy: -1.529
local terms energy: -94.574257
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -14.662
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: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -212.651848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.651848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.651848 (E_RNA)
where:
Base-Base interactions energy: -124.388
where: short stacking energy: -73.431
Base-Backbone interact. energy: -1.487
local terms energy: -86.776564
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -171.926940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.926940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.926940 (E_RNA)
where:
Base-Base interactions energy: -96.342
where: short stacking energy: -49.963
Base-Backbone interact. energy: -0.053
local terms energy: -75.531778
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -7.326
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: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -184.470469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.470469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.470469 (E_RNA)
where:
Base-Base interactions energy: -105.936
where: short stacking energy: -51.683
Base-Backbone interact. energy: -1.223
local terms energy: -77.311528
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -11.848
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: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -118.741122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.741122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.741122 (E_RNA)
where:
Base-Base interactions energy: -46.128
where: short stacking energy: -42.026
Base-Backbone interact. energy: 0.521
local terms energy: -73.133764
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -111.200234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.200234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.200234 (E_RNA)
where:
Base-Base interactions energy: -33.960
where: short stacking energy: -33.820
Base-Backbone interact. energy: 0.487
local terms energy: -77.727047
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -107.023473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.023473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.023473 (E_RNA)
where:
Base-Base interactions energy: -39.981
where: short stacking energy: -37.396
Base-Backbone interact. energy: 1.588
local terms energy: -68.630384
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: 3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -322.512619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.512619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.512619 (E_RNA)
where:
Base-Base interactions energy: -209.048
where: short stacking energy: -97.000
Base-Backbone interact. energy: -1.298
local terms energy: -112.166421
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -27.003
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: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -331.628554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.628554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.628554 (E_RNA)
where:
Base-Base interactions energy: -222.481
where: short stacking energy: -97.688
Base-Backbone interact. energy: -0.192
local terms energy: -108.955443
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -26.438
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: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -294.578754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.578754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.578754 (E_RNA)
where:
Base-Base interactions energy: -198.693
where: short stacking energy: -95.305
Base-Backbone interact. energy: 0.005
local terms energy: -95.890460
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -16.440
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: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -228.783057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.783057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.783057 (E_RNA)
where:
Base-Base interactions energy: -143.045
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.517
local terms energy: -85.220978
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -187.250540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.250540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.250540 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -60.227
Base-Backbone interact. energy: -1.225
local terms energy: -69.972152
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -202.523972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.523972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.523972 (E_RNA)
where:
Base-Base interactions energy: -122.758
where: short stacking energy: -53.680
Base-Backbone interact. energy: -1.487
local terms energy: -78.279010
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -7.811
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: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -169.057424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.057424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.057424 (E_RNA)
where:
Base-Base interactions energy: -94.603
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.403
local terms energy: -74.051726
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -136.462975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.462975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.462975 (E_RNA)
where:
Base-Base interactions energy: -53.612
where: short stacking energy: -50.235
Base-Backbone interact. energy: -0.030
local terms energy: -82.821646
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -13.212
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: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -110.443955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.443955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.443955 (E_RNA)
where:
Base-Base interactions energy: -47.310
where: short stacking energy: -42.585
Base-Backbone interact. energy: 1.636
local terms energy: -64.770109
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -114.695203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.695203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.695203 (E_RNA)
where:
Base-Base interactions energy: -44.614
where: short stacking energy: -43.114
Base-Backbone interact. energy: -0.176
local terms energy: -69.905637
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -4.032
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: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -327.664173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.664173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.664173 (E_RNA)
where:
Base-Base interactions energy: -215.943
where: short stacking energy: -98.143
Base-Backbone interact. energy: -0.279
local terms energy: -111.441810
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -28.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -326.588561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.588561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.588561 (E_RNA)
where:
Base-Base interactions energy: -220.357
where: short stacking energy: -94.546
Base-Backbone interact. energy: -0.443
local terms energy: -105.788598
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -26.630
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: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -299.232406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.232406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.232406 (E_RNA)
where:
Base-Base interactions energy: -193.733
where: short stacking energy: -85.029
Base-Backbone interact. energy: -0.610
local terms energy: -104.889624
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -18.615
tors. eta vs tors. theta energy: -25.586
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: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -234.377222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.377222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.377222 (E_RNA)
where:
Base-Base interactions energy: -145.515
where: short stacking energy: -71.507
Base-Backbone interact. energy: -0.631
local terms energy: -88.231211
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -15.618
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: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -197.587492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.587492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.587492 (E_RNA)
where:
Base-Base interactions energy: -122.352
where: short stacking energy: -62.577
Base-Backbone interact. energy: 0.065
local terms energy: -75.300797
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -10.296
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: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -169.777508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.777508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.777508 (E_RNA)
where:
Base-Base interactions energy: -88.867
where: short stacking energy: -56.957
Base-Backbone interact. energy: -0.422
local terms energy: -80.488401
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -8.580
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: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -173.253157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.253157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.253157 (E_RNA)
where:
Base-Base interactions energy: -89.300
where: short stacking energy: -58.080
Base-Backbone interact. energy: -0.576
local terms energy: -83.377222
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -12.934
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: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -106.771794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.771794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.771794 (E_RNA)
where:
Base-Base interactions energy: -55.122
where: short stacking energy: -49.411
Base-Backbone interact. energy: 3.698
local terms energy: -55.347792
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -106.055688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.055688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.055688 (E_RNA)
where:
Base-Base interactions energy: -38.234
where: short stacking energy: -25.300
Base-Backbone interact. energy: -0.732
local terms energy: -67.090080
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -104.906556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.906556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.906556 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -32.412
Base-Backbone interact. energy: -0.326
local terms energy: -70.025570
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -326.735037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.735037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.735037 (E_RNA)
where:
Base-Base interactions energy: -222.308
where: short stacking energy: -98.558
Base-Backbone interact. energy: -0.526
local terms energy: -103.901074
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -27.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -317.488282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.488282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.488282 (E_RNA)
where:
Base-Base interactions energy: -204.399
where: short stacking energy: -106.014
Base-Backbone interact. energy: -0.042
local terms energy: -113.047223
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -28.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -314.956440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.956440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.956440 (E_RNA)
where:
Base-Base interactions energy: -216.240
where: short stacking energy: -96.583
Base-Backbone interact. energy: -0.163
local terms energy: -98.554163
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -24.634
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: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -174.977087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.977087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.977087 (E_RNA)
where:
Base-Base interactions energy: -99.003
where: short stacking energy: -63.236
Base-Backbone interact. energy: -0.181
local terms energy: -75.793429
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -203.856664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.856664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.856664 (E_RNA)
where:
Base-Base interactions energy: -131.653
where: short stacking energy: -66.920
Base-Backbone interact. energy: -0.452
local terms energy: -71.751749
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -163.830513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.830513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.830513 (E_RNA)
where:
Base-Base interactions energy: -90.349
where: short stacking energy: -50.519
Base-Backbone interact. energy: -2.120
local terms energy: -71.361131
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -8.643
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: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -186.205330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.205330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.205330 (E_RNA)
where:
Base-Base interactions energy: -107.273
where: short stacking energy: -56.566
Base-Backbone interact. energy: -0.201
local terms energy: -78.731099
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -116.267067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.267067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.267067 (E_RNA)
where:
Base-Base interactions energy: -58.289
where: short stacking energy: -49.987
Base-Backbone interact. energy: -0.756
local terms energy: -57.221732
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -105.728169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.728169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.728169 (E_RNA)
where:
Base-Base interactions energy: -43.702
where: short stacking energy: -35.297
Base-Backbone interact. energy: -1.944
local terms energy: -60.081562
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -119.175197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.175197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.175197 (E_RNA)
where:
Base-Base interactions energy: -65.821
where: short stacking energy: -35.361
Base-Backbone interact. energy: 4.470
local terms energy: -57.824098
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: 0.636
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: 92
Temperature: 0.900000
Total energy: -309.054038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.054038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.054038 (E_RNA)
where:
Base-Base interactions energy: -206.544
where: short stacking energy: -91.429
Base-Backbone interact. energy: 0.140
local terms energy: -102.649751
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -26.528
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: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -303.737375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.737375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.737375 (E_RNA)
where:
Base-Base interactions energy: -196.208
where: short stacking energy: -92.955
Base-Backbone interact. energy: -0.100
local terms energy: -107.429074
where:
bonds (distance) C4'-P energy: -23.224
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -26.312
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: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -307.707976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.707976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.707976 (E_RNA)
where:
Base-Base interactions energy: -214.381
where: short stacking energy: -79.622
Base-Backbone interact. energy: -0.426
local terms energy: -92.901353
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -25.430
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: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -190.198206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.198206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.198206 (E_RNA)
where:
Base-Base interactions energy: -100.074
where: short stacking energy: -68.159
Base-Backbone interact. energy: -0.135
local terms energy: -89.989195
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -13.773
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -192.505925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.505925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.505925 (E_RNA)
where:
Base-Base interactions energy: -113.566
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.367
local terms energy: -78.572723
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -10.433
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: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -164.001776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.001776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.001776 (E_RNA)
where:
Base-Base interactions energy: -90.094
where: short stacking energy: -56.111
Base-Backbone interact. energy: 0.243
local terms energy: -74.150762
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -10.784
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -169.131926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.131926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.131926 (E_RNA)
where:
Base-Base interactions energy: -101.053
where: short stacking energy: -64.235
Base-Backbone interact. energy: 2.668
local terms energy: -70.746347
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -11.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -122.726795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.726795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.726795 (E_RNA)
where:
Base-Base interactions energy: -53.032
where: short stacking energy: -35.072
Base-Backbone interact. energy: -1.495
local terms energy: -68.199440
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -2.146
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: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -108.342784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.342784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.342784 (E_RNA)
where:
Base-Base interactions energy: -36.870
where: short stacking energy: -31.333
Base-Backbone interact. energy: -0.116
local terms energy: -71.356529
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -100.549019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.549019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.549019 (E_RNA)
where:
Base-Base interactions energy: -37.636
where: short stacking energy: -34.822
Base-Backbone interact. energy: -0.218
local terms energy: -62.695618
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -321.457559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.457559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.457559 (E_RNA)
where:
Base-Base interactions energy: -203.933
where: short stacking energy: -98.353
Base-Backbone interact. energy: -0.368
local terms energy: -117.156161
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -30.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -311.819655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.819655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.819655 (E_RNA)
where:
Base-Base interactions energy: -206.409
where: short stacking energy: -95.315
Base-Backbone interact. energy: -0.506
local terms energy: -104.904899
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -29.038
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: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -301.856666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.856666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.856666 (E_RNA)
where:
Base-Base interactions energy: -199.478
where: short stacking energy: -96.697
Base-Backbone interact. energy: -0.983
local terms energy: -101.395168
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -25.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -176.268980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.268980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.268980 (E_RNA)
where:
Base-Base interactions energy: -94.541
where: short stacking energy: -66.581
Base-Backbone interact. energy: -0.328
local terms energy: -81.400748
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -17.909
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: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -186.779927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.779927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.779927 (E_RNA)
where:
Base-Base interactions energy: -106.781
where: short stacking energy: -63.043
Base-Backbone interact. energy: 0.292
local terms energy: -80.290813
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -9.844
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -180.169850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.169850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.169850 (E_RNA)
where:
Base-Base interactions energy: -97.013
where: short stacking energy: -61.636
Base-Backbone interact. energy: 0.101
local terms energy: -83.258010
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -139.936273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.936273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.936273 (E_RNA)
where:
Base-Base interactions energy: -60.522
where: short stacking energy: -52.506
Base-Backbone interact. energy: -0.015
local terms energy: -79.399918
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -118.467622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.467622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.467622 (E_RNA)
where:
Base-Base interactions energy: -57.622
where: short stacking energy: -41.754
Base-Backbone interact. energy: -0.296
local terms energy: -60.549041
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -128.629547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.629547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.629547 (E_RNA)
where:
Base-Base interactions energy: -56.914
where: short stacking energy: -32.199
Base-Backbone interact. energy: -0.235
local terms energy: -71.480718
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -96.422178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.422178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.422178 (E_RNA)
where:
Base-Base interactions energy: -31.228
where: short stacking energy: -30.960
Base-Backbone interact. energy: 1.354
local terms energy: -66.548167
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -321.417749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.417749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.417749 (E_RNA)
where:
Base-Base interactions energy: -214.259
where: short stacking energy: -96.539
Base-Backbone interact. energy: -0.452
local terms energy: -106.706531
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -30.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -323.240956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.240956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.240956 (E_RNA)
where:
Base-Base interactions energy: -224.465
where: short stacking energy: -100.518
Base-Backbone interact. energy: -0.484
local terms energy: -98.291562
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -26.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -299.686274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.686274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.686274 (E_RNA)
where:
Base-Base interactions energy: -193.314
where: short stacking energy: -86.562
Base-Backbone interact. energy: -0.353
local terms energy: -106.018843
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -27.153
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: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -193.382697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.382697 (E_RNA)
where:
Base-Base interactions energy: -113.522
where: short stacking energy: -69.135
Base-Backbone interact. energy: 0.457
local terms energy: -80.317910
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -17.574
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: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -180.586736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.586736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.586736 (E_RNA)
where:
Base-Base interactions energy: -101.568
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.162
local terms energy: -78.857330
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -168.823361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.823361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.823361 (E_RNA)
where:
Base-Base interactions energy: -85.944
where: short stacking energy: -63.880
Base-Backbone interact. energy: -2.969
local terms energy: -79.910462
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -14.380
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: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -113.159348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.159348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.159348 (E_RNA)
where:
Base-Base interactions energy: -58.391
where: short stacking energy: -35.020
Base-Backbone interact. energy: 0.931
local terms energy: -55.699377
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: 0.423
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: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -113.918168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.918168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.918168 (E_RNA)
where:
Base-Base interactions energy: -49.174
where: short stacking energy: -49.174
Base-Backbone interact. energy: -0.083
local terms energy: -64.662007
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -124.370137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.370137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.370137 (E_RNA)
where:
Base-Base interactions energy: -50.559
where: short stacking energy: -46.788
Base-Backbone interact. energy: 2.276
local terms energy: -76.087153
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -110.171077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.171077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.171077 (E_RNA)
where:
Base-Base interactions energy: -49.732
where: short stacking energy: -43.656
Base-Backbone interact. energy: -0.513
local terms energy: -59.925780
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -318.775921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.775921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.775921 (E_RNA)
where:
Base-Base interactions energy: -206.765
where: short stacking energy: -91.952
Base-Backbone interact. energy: -0.841
local terms energy: -111.170699
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -26.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -307.084963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.084963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.084963 (E_RNA)
where:
Base-Base interactions energy: -203.917
where: short stacking energy: -103.012
Base-Backbone interact. energy: -0.222
local terms energy: -102.946205
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -319.364940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.364940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.364940 (E_RNA)
where:
Base-Base interactions energy: -219.698
where: short stacking energy: -96.260
Base-Backbone interact. energy: -0.084
local terms energy: -99.582739
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -30.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -212.461161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.461161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.461161 (E_RNA)
where:
Base-Base interactions energy: -128.118
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.041
local terms energy: -84.302040
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -184.991102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.991102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.991102 (E_RNA)
where:
Base-Base interactions energy: -104.049
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.621
local terms energy: -80.321080
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -144.915327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.915327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.915327 (E_RNA)
where:
Base-Base interactions energy: -84.075
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.189
local terms energy: -60.650970
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -0.756
tors. eta vs tors. theta energy: -9.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -119.690927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.690927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.690927 (E_RNA)
where:
Base-Base interactions energy: -42.930
where: short stacking energy: -41.762
Base-Backbone interact. energy: -0.205
local terms energy: -76.555374
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -5.889
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: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -118.294056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.294056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.294056 (E_RNA)
where:
Base-Base interactions energy: -52.276
where: short stacking energy: -46.828
Base-Backbone interact. energy: -0.270
local terms energy: -65.747906
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -115.811999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.811999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.811999 (E_RNA)
where:
Base-Base interactions energy: -50.315
where: short stacking energy: -42.444
Base-Backbone interact. energy: -0.396
local terms energy: -65.101077
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -91.831120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.831120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.831120 (E_RNA)
where:
Base-Base interactions energy: -27.064
where: short stacking energy: -22.508
Base-Backbone interact. energy: 0.577
local terms energy: -65.344457
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -325.787680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.787680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.787680 (E_RNA)
where:
Base-Base interactions energy: -221.466
where: short stacking energy: -98.723
Base-Backbone interact. energy: -0.574
local terms energy: -103.747656
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -27.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -323.154933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.154933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.154933 (E_RNA)
where:
Base-Base interactions energy: -214.550
where: short stacking energy: -104.617
Base-Backbone interact. energy: -0.383
local terms energy: -108.221303
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -28.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -308.275352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.275352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.275352 (E_RNA)
where:
Base-Base interactions energy: -207.233
where: short stacking energy: -89.958
Base-Backbone interact. energy: -0.159
local terms energy: -100.882997
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -25.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -204.758733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.758733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.758733 (E_RNA)
where:
Base-Base interactions energy: -117.943
where: short stacking energy: -59.132
Base-Backbone interact. energy: -0.421
local terms energy: -86.394023
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -16.008
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: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -216.766934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.766934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.766934 (E_RNA)
where:
Base-Base interactions energy: -129.973
where: short stacking energy: -64.036
Base-Backbone interact. energy: -0.173
local terms energy: -86.621143
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -137.097731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.097731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.097731 (E_RNA)
where:
Base-Base interactions energy: -62.522
where: short stacking energy: -49.686
Base-Backbone interact. energy: -0.301
local terms energy: -74.274235
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -141.857272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.857272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.857272 (E_RNA)
where:
Base-Base interactions energy: -60.389
where: short stacking energy: -46.285
Base-Backbone interact. energy: 0.773
local terms energy: -82.240726
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -112.675409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.675409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.675409 (E_RNA)
where:
Base-Base interactions energy: -50.452
where: short stacking energy: -47.112
Base-Backbone interact. energy: -0.466
local terms energy: -61.756671
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -7.205
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: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -109.065990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.065990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.065990 (E_RNA)
where:
Base-Base interactions energy: -44.940
where: short stacking energy: -32.033
Base-Backbone interact. energy: -0.248
local terms energy: -63.877555
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -127.692800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.692800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.692800 (E_RNA)
where:
Base-Base interactions energy: -56.396
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.030
local terms energy: -71.266867
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -320.064789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.064789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.064789 (E_RNA)
where:
Base-Base interactions energy: -217.634
where: short stacking energy: -97.043
Base-Backbone interact. energy: -0.337
local terms energy: -102.093549
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -25.080
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: 97
Temperature: 0.950000
Total energy: -307.169037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.169037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.169037 (E_RNA)
where:
Base-Base interactions energy: -199.364
where: short stacking energy: -97.360
Base-Backbone interact. energy: -1.169
local terms energy: -106.636049
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -27.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -298.001496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.001496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.001496 (E_RNA)
where:
Base-Base interactions energy: -198.374
where: short stacking energy: -90.898
Base-Backbone interact. energy: -0.086
local terms energy: -99.541916
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -25.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -225.267382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.267382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.267382 (E_RNA)
where:
Base-Base interactions energy: -132.669
where: short stacking energy: -78.730
Base-Backbone interact. energy: -0.317
local terms energy: -92.281490
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -212.299830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.299830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.299830 (E_RNA)
where:
Base-Base interactions energy: -130.065
where: short stacking energy: -65.541
Base-Backbone interact. energy: -0.227
local terms energy: -82.008154
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -132.173008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.173008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.173008 (E_RNA)
where:
Base-Base interactions energy: -49.247
where: short stacking energy: -42.662
Base-Backbone interact. energy: -0.323
local terms energy: -82.603240
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -5.464
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: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -153.699226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.699226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.699226 (E_RNA)
where:
Base-Base interactions energy: -72.362
where: short stacking energy: -44.110
Base-Backbone interact. energy: 1.159
local terms energy: -82.496290
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -116.097895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.097895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.097895 (E_RNA)
where:
Base-Base interactions energy: -54.258
where: short stacking energy: -45.266
Base-Backbone interact. energy: -0.070
local terms energy: -61.769140
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -8.120
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -125.002265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.002265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.002265 (E_RNA)
where:
Base-Base interactions energy: -58.905
where: short stacking energy: -44.481
Base-Backbone interact. energy: -0.263
local terms energy: -65.834229
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -18.825
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: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -96.254832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.254832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.254832 (E_RNA)
where:
Base-Base interactions energy: -39.101
where: short stacking energy: -39.101
Base-Backbone interact. energy: -0.188
local terms energy: -56.965412
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -8.966
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: 98
Temperature: 0.900000
Total energy: -313.162916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.162916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.162916 (E_RNA)
where:
Base-Base interactions energy: -212.971
where: short stacking energy: -95.089
Base-Backbone interact. energy: -0.190
local terms energy: -100.001981
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -25.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -301.282898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.282898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.282898 (E_RNA)
where:
Base-Base interactions energy: -206.355
where: short stacking energy: -88.342
Base-Backbone interact. energy: -0.495
local terms energy: -94.433074
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -21.815
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: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -295.194538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.194538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.194538 (E_RNA)
where:
Base-Base interactions energy: -190.884
where: short stacking energy: -89.109
Base-Backbone interact. energy: -0.420
local terms energy: -103.889704
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -227.820343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.820343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.820343 (E_RNA)
where:
Base-Base interactions energy: -142.389
where: short stacking energy: -73.736
Base-Backbone interact. energy: 0.623
local terms energy: -86.054079
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -174.305588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.305588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.305588 (E_RNA)
where:
Base-Base interactions energy: -94.040
where: short stacking energy: -52.183
Base-Backbone interact. energy: -1.538
local terms energy: -78.727421
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -136.921963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.921963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.921963 (E_RNA)
where:
Base-Base interactions energy: -45.605
where: short stacking energy: -42.898
Base-Backbone interact. energy: -0.367
local terms energy: -90.950659
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -154.115610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.115610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.115610 (E_RNA)
where:
Base-Base interactions energy: -71.664
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.027
local terms energy: -82.424100
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -12.154
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: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -125.398721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.398721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.398721 (E_RNA)
where:
Base-Base interactions energy: -62.459
where: short stacking energy: -42.363
Base-Backbone interact. energy: -0.285
local terms energy: -62.655432
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -106.040787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.040787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.040787 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -30.832
Base-Backbone interact. energy: -0.157
local terms energy: -65.575229
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -108.726555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.726555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.726555 (E_RNA)
where:
Base-Base interactions energy: -42.233
where: short stacking energy: -37.923
Base-Backbone interact. energy: 2.288
local terms energy: -68.781048
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -9.291
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: 99
Temperature: 0.900000
Total energy: -314.806424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.806424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.806424 (E_RNA)
where:
Base-Base interactions energy: -209.552
where: short stacking energy: -88.729
Base-Backbone interact. energy: -0.754
local terms energy: -104.499724
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -26.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -303.971660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.971660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.971660 (E_RNA)
where:
Base-Base interactions energy: -196.075
where: short stacking energy: -89.128
Base-Backbone interact. energy: 0.070
local terms energy: -107.966892
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -14.369
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: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -304.425117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.425117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.425117 (E_RNA)
where:
Base-Base interactions energy: -193.242
where: short stacking energy: -92.762
Base-Backbone interact. energy: -0.617
local terms energy: -110.566302
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -237.943621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.943621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.943621 (E_RNA)
where:
Base-Base interactions energy: -153.373
where: short stacking energy: -84.498
Base-Backbone interact. energy: -1.829
local terms energy: -82.741189
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -217.243259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.243259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.243259 (E_RNA)
where:
Base-Base interactions energy: -125.567
where: short stacking energy: -73.476
Base-Backbone interact. energy: 0.252
local terms energy: -91.928360
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -137.210856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.210856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.210856 (E_RNA)
where:
Base-Base interactions energy: -67.333
where: short stacking energy: -45.980
Base-Backbone interact. energy: -0.477
local terms energy: -69.400740
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -3.003
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: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -129.352217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.352217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.352217 (E_RNA)
where:
Base-Base interactions energy: -50.185
where: short stacking energy: -44.997
Base-Backbone interact. energy: -0.312
local terms energy: -78.854658
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -110.456047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.456047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.456047 (E_RNA)
where:
Base-Base interactions energy: -50.853
where: short stacking energy: -39.100
Base-Backbone interact. energy: -1.010
local terms energy: -58.593112
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: 3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -112.768605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.768605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.768605 (E_RNA)
where:
Base-Base interactions energy: -41.079
where: short stacking energy: -40.570
Base-Backbone interact. energy: 1.637
local terms energy: -73.327336
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -2.730
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: 99
Temperature: 1.350000
Total energy: -105.919972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.919972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.919972 (E_RNA)
where:
Base-Base interactions energy: -51.070
where: short stacking energy: -37.750
Base-Backbone interact. energy: 2.489
local terms energy: -57.339151
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -322.804247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.804247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.804247 (E_RNA)
where:
Base-Base interactions energy: -219.638
where: short stacking energy: -91.631
Base-Backbone interact. energy: -1.014
local terms energy: -102.152506
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -27.061
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: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -315.360611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.360611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.360611 (E_RNA)
where:
Base-Base interactions energy: -209.429
where: short stacking energy: -103.154
Base-Backbone interact. energy: -0.240
local terms energy: -105.691890
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -24.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -297.171144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.171144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.171144 (E_RNA)
where:
Base-Base interactions energy: -195.624
where: short stacking energy: -97.086
Base-Backbone interact. energy: -0.348
local terms energy: -101.198742
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -24.566
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: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -239.912452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.912452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.912452 (E_RNA)
where:
Base-Base interactions energy: -151.133
where: short stacking energy: -78.602
Base-Backbone interact. energy: -0.559
local terms energy: -88.220674
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -23.736
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -204.117371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.117371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.117371 (E_RNA)
where:
Base-Base interactions energy: -118.377
where: short stacking energy: -62.613
Base-Backbone interact. energy: -0.161
local terms energy: -85.579616
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -143.062165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.062165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.062165 (E_RNA)
where:
Base-Base interactions energy: -69.978
where: short stacking energy: -37.611
Base-Backbone interact. energy: -0.554
local terms energy: -72.530148
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: 1.057
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: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -162.817887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.817887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.817887 (E_RNA)
where:
Base-Base interactions energy: -85.934
where: short stacking energy: -43.061
Base-Backbone interact. energy: -0.840
local terms energy: -76.043545
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -112.163922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.163922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.163922 (E_RNA)
where:
Base-Base interactions energy: -50.747
where: short stacking energy: -49.384
Base-Backbone interact. energy: -0.298
local terms energy: -61.119069
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -3.817
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: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -118.188800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.188800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.188800 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -30.351
Base-Backbone interact. energy: 2.661
local terms energy: -69.734340
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -25.886
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: 4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -105.345719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.345719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.345719 (E_RNA)
where:
Base-Base interactions energy: -51.770
where: short stacking energy: -26.202
Base-Backbone interact. energy: -0.690
local terms energy: -52.886128
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: 6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -315.934719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.934719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.934719 (E_RNA)
where:
Base-Base interactions energy: -204.591
where: short stacking energy: -92.472
Base-Backbone interact. energy: -0.733
local terms energy: -110.610665
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -25.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -304.801784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.801784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.801784 (E_RNA)
where:
Base-Base interactions energy: -199.037
where: short stacking energy: -103.942
Base-Backbone interact. energy: -0.472
local terms energy: -105.293271
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -27.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -297.856277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.856277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.856277 (E_RNA)
where:
Base-Base interactions energy: -193.845
where: short stacking energy: -86.671
Base-Backbone interact. energy: -0.511
local terms energy: -103.501202
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -25.689
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -30.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -208.779316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.779316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.779316 (E_RNA)
where:
Base-Base interactions energy: -127.479
where: short stacking energy: -59.813
Base-Backbone interact. energy: -0.247
local terms energy: -81.053587
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -13.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -260.845867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.845867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.845867 (E_RNA)
where:
Base-Base interactions energy: -175.704
where: short stacking energy: -88.530
Base-Backbone interact. energy: -1.370
local terms energy: -83.771476
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -14.061
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: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -200.335254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.335254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.335254 (E_RNA)
where:
Base-Base interactions energy: -120.918
where: short stacking energy: -75.388
Base-Backbone interact. energy: -0.086
local terms energy: -79.331718
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -168.912123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.912123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.912123 (E_RNA)
where:
Base-Base interactions energy: -97.209
where: short stacking energy: -53.312
Base-Backbone interact. energy: -0.379
local terms energy: -71.324555
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -12.123
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: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -143.756943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.756943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.756943 (E_RNA)
where:
Base-Base interactions energy: -75.251
where: short stacking energy: -46.533
Base-Backbone interact. energy: 2.588
local terms energy: -71.094375
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -8.463
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: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -116.021672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.021672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.021672 (E_RNA)
where:
Base-Base interactions energy: -53.628
where: short stacking energy: -53.828
Base-Backbone interact. energy: 0.114
local terms energy: -62.507067
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -109.651299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.651299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.651299 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -37.075
Base-Backbone interact. energy: -1.037
local terms energy: -71.538518
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -321.295673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.295673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.295673 (E_RNA)
where:
Base-Base interactions energy: -208.028
where: short stacking energy: -95.229
Base-Backbone interact. energy: -1.607
local terms energy: -111.661341
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -28.513
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: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -305.915962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.915962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.915962 (E_RNA)
where:
Base-Base interactions energy: -208.991
where: short stacking energy: -96.014
Base-Backbone interact. energy: -2.442
local terms energy: -94.482958
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -25.810
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -302.808154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.808154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.808154 (E_RNA)
where:
Base-Base interactions energy: -204.141
where: short stacking energy: -93.667
Base-Backbone interact. energy: -0.266
local terms energy: -98.401182
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -25.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -232.710185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.710185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.710185 (E_RNA)
where:
Base-Base interactions energy: -147.689
where: short stacking energy: -76.634
Base-Backbone interact. energy: -0.020
local terms energy: -85.001410
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -7.394
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: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -259.520756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.520756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.520756 (E_RNA)
where:
Base-Base interactions energy: -170.759
where: short stacking energy: -78.538
Base-Backbone interact. energy: -0.321
local terms energy: -88.440661
where:
bonds (distance) C4'-P energy: -23.116
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -190.247295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.247295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.247295 (E_RNA)
where:
Base-Base interactions energy: -106.559
where: short stacking energy: -66.516
Base-Backbone interact. energy: 0.993
local terms energy: -84.680612
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -153.343737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.343737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.343737 (E_RNA)
where:
Base-Base interactions energy: -90.906
where: short stacking energy: -50.623
Base-Backbone interact. energy: -0.208
local terms energy: -62.229189
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: -4.490
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: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -113.524046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.524046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.524046 (E_RNA)
where:
Base-Base interactions energy: -48.299
where: short stacking energy: -41.559
Base-Backbone interact. energy: 2.221
local terms energy: -67.445335
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -137.497040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.497040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.497040 (E_RNA)
where:
Base-Base interactions energy: -72.474
where: short stacking energy: -40.329
Base-Backbone interact. energy: -0.906
local terms energy: -64.117086
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -2.347
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: 102
Temperature: 1.350000
Total energy: -101.145176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.145176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.145176 (E_RNA)
where:
Base-Base interactions energy: -34.965
where: short stacking energy: -34.965
Base-Backbone interact. energy: 0.037
local terms energy: -66.216919
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -313.076157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.076157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.076157 (E_RNA)
where:
Base-Base interactions energy: -203.869
where: short stacking energy: -90.761
Base-Backbone interact. energy: -1.365
local terms energy: -107.841436
where:
bonds (distance) C4'-P energy: -23.171
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -28.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -307.553061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.553061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.553061 (E_RNA)
where:
Base-Base interactions energy: -205.962
where: short stacking energy: -95.642
Base-Backbone interact. energy: 0.877
local terms energy: -102.467377
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -22.235
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: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -304.014893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.014893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.014893 (E_RNA)
where:
Base-Base interactions energy: -203.354
where: short stacking energy: -97.738
Base-Backbone interact. energy: 2.103
local terms energy: -102.764023
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -30.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -249.178672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.178672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.178672 (E_RNA)
where:
Base-Base interactions energy: -152.540
where: short stacking energy: -78.399
Base-Backbone interact. energy: -0.675
local terms energy: -95.963751
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -222.360993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.360993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.360993 (E_RNA)
where:
Base-Base interactions energy: -135.902
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.133
local terms energy: -86.325456
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -164.948225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.948225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.948225 (E_RNA)
where:
Base-Base interactions energy: -82.912
where: short stacking energy: -51.006
Base-Backbone interact. energy: -0.522
local terms energy: -81.514071
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -171.924235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.924235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.924235 (E_RNA)
where:
Base-Base interactions energy: -90.498
where: short stacking energy: -45.062
Base-Backbone interact. energy: -0.488
local terms energy: -80.938435
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -142.519171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.519171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.519171 (E_RNA)
where:
Base-Base interactions energy: -64.206
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.274
local terms energy: -78.038970
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -8.128
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: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -105.726667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.726667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.726667 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.186
local terms energy: -68.570035
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -12.147
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: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -115.913234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.913234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.913234 (E_RNA)
where:
Base-Base interactions energy: -46.029
where: short stacking energy: -42.245
Base-Backbone interact. energy: -0.222
local terms energy: -69.661765
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.319
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: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -315.791791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.791791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.791791 (E_RNA)
where:
Base-Base interactions energy: -204.437
where: short stacking energy: -83.397
Base-Backbone interact. energy: -0.606
local terms energy: -110.748903
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -24.909
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: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -318.729135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.729135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.729135 (E_RNA)
where:
Base-Base interactions energy: -210.794
where: short stacking energy: -100.137
Base-Backbone interact. energy: -0.099
local terms energy: -107.836342
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -24.918
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: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -298.947495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.947495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.947495 (E_RNA)
where:
Base-Base interactions energy: -199.509
where: short stacking energy: -90.955
Base-Backbone interact. energy: -0.221
local terms energy: -99.217841
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -12.021
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: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -236.301699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.301699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.301699 (E_RNA)
where:
Base-Base interactions energy: -155.515
where: short stacking energy: -79.841
Base-Backbone interact. energy: -1.310
local terms energy: -79.476016
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -208.972975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.972975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.972975 (E_RNA)
where:
Base-Base interactions energy: -128.221
where: short stacking energy: -72.982
Base-Backbone interact. energy: 0.013
local terms energy: -80.765315
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -153.401354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.401354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.401354 (E_RNA)
where:
Base-Base interactions energy: -80.533
where: short stacking energy: -49.791
Base-Backbone interact. energy: -0.262
local terms energy: -72.606720
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -167.592452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.592452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.592452 (E_RNA)
where:
Base-Base interactions energy: -88.134
where: short stacking energy: -57.469
Base-Backbone interact. energy: 2.069
local terms energy: -81.527597
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -10.340
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: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -122.993746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.993746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.993746 (E_RNA)
where:
Base-Base interactions energy: -47.467
where: short stacking energy: -41.440
Base-Backbone interact. energy: -0.323
local terms energy: -75.203935
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -107.930533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.930533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.930533 (E_RNA)
where:
Base-Base interactions energy: -33.824
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.114
local terms energy: -73.992299
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -95.003689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.003689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.003689 (E_RNA)
where:
Base-Base interactions energy: -30.165
where: short stacking energy: -30.165
Base-Backbone interact. energy: -0.228
local terms energy: -64.610097
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -318.356725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.356725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.356725 (E_RNA)
where:
Base-Base interactions energy: -208.067
where: short stacking energy: -96.774
Base-Backbone interact. energy: -0.304
local terms energy: -109.985104
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -27.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -321.192525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.192525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.192525 (E_RNA)
where:
Base-Base interactions energy: -221.049
where: short stacking energy: -96.553
Base-Backbone interact. energy: 0.180
local terms energy: -100.323284
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -27.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -303.770563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.770563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.770563 (E_RNA)
where:
Base-Base interactions energy: -215.910
where: short stacking energy: -94.250
Base-Backbone interact. energy: -0.293
local terms energy: -87.567161
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -218.855672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.855672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.855672 (E_RNA)
where:
Base-Base interactions energy: -134.026
where: short stacking energy: -74.380
Base-Backbone interact. energy: 0.751
local terms energy: -85.580528
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -16.785
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: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -236.759058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.759058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.759058 (E_RNA)
where:
Base-Base interactions energy: -149.292
where: short stacking energy: -78.224
Base-Backbone interact. energy: -0.391
local terms energy: -87.075793
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -205.780042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.780042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.780042 (E_RNA)
where:
Base-Base interactions energy: -131.948
where: short stacking energy: -59.140
Base-Backbone interact. energy: 0.325
local terms energy: -74.156497
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -124.682074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.682074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.682074 (E_RNA)
where:
Base-Base interactions energy: -55.353
where: short stacking energy: -42.683
Base-Backbone interact. energy: -0.085
local terms energy: -69.243728
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -4.723
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: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -111.669400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.669400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.669400 (E_RNA)
where:
Base-Base interactions energy: -52.481
where: short stacking energy: -42.725
Base-Backbone interact. energy: 0.670
local terms energy: -59.858503
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -118.150916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.150916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.150916 (E_RNA)
where:
Base-Base interactions energy: -44.986
where: short stacking energy: -35.732
Base-Backbone interact. energy: -0.299
local terms energy: -72.865801
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -11.533
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: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -92.258534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.258534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.258534 (E_RNA)
where:
Base-Base interactions energy: -28.801
where: short stacking energy: -26.248
Base-Backbone interact. energy: -1.193
local terms energy: -62.265302
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: 0.272
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: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -326.705466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.705466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.705466 (E_RNA)
where:
Base-Base interactions energy: -217.389
where: short stacking energy: -97.819
Base-Backbone interact. energy: -0.314
local terms energy: -109.002399
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -27.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -313.301195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.301195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.301195 (E_RNA)
where:
Base-Base interactions energy: -210.885
where: short stacking energy: -93.070
Base-Backbone interact. energy: -0.781
local terms energy: -101.636012
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -27.332
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: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -293.528214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.528214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.528214 (E_RNA)
where:
Base-Base interactions energy: -197.020
where: short stacking energy: -86.819
Base-Backbone interact. energy: -0.116
local terms energy: -96.392788
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -9.377
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: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -223.175805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.175805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.175805 (E_RNA)
where:
Base-Base interactions energy: -137.223
where: short stacking energy: -69.142
Base-Backbone interact. energy: -0.812
local terms energy: -85.140802
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -236.133615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.133615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.133615 (E_RNA)
where:
Base-Base interactions energy: -141.122
where: short stacking energy: -75.787
Base-Backbone interact. energy: -0.113
local terms energy: -94.897947
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -198.244553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.244553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.244553 (E_RNA)
where:
Base-Base interactions energy: -117.453
where: short stacking energy: -68.110
Base-Backbone interact. energy: -0.390
local terms energy: -80.402053
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -14.497
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: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -132.597987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.597987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.597987 (E_RNA)
where:
Base-Base interactions energy: -77.351
where: short stacking energy: -49.907
Base-Backbone interact. energy: 0.997
local terms energy: -56.243448
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -7.582
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -124.203704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.203704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.203704 (E_RNA)
where:
Base-Base interactions energy: -57.395
where: short stacking energy: -46.059
Base-Backbone interact. energy: -0.637
local terms energy: -66.171610
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -104.710342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.710342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.710342 (E_RNA)
where:
Base-Base interactions energy: -52.199
where: short stacking energy: -41.927
Base-Backbone interact. energy: 0.378
local terms energy: -52.889346
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -95.605441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.605441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.605441 (E_RNA)
where:
Base-Base interactions energy: -37.860
where: short stacking energy: -37.860
Base-Backbone interact. energy: -0.234
local terms energy: -57.511436
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: 2.358
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: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -324.065575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.065575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.065575 (E_RNA)
where:
Base-Base interactions energy: -215.295
where: short stacking energy: -104.951
Base-Backbone interact. energy: -0.789
local terms energy: -107.981485
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -318.760319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.760319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.760319 (E_RNA)
where:
Base-Base interactions energy: -214.893
where: short stacking energy: -93.340
Base-Backbone interact. energy: -0.303
local terms energy: -103.564493
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -24.898
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: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -302.176128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.176128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.176128 (E_RNA)
where:
Base-Base interactions energy: -205.314
where: short stacking energy: -90.843
Base-Backbone interact. energy: 0.617
local terms energy: -97.479468
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -237.125943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.125943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.125943 (E_RNA)
where:
Base-Base interactions energy: -149.575
where: short stacking energy: -72.263
Base-Backbone interact. energy: -0.475
local terms energy: -87.075712
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -13.213
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: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -258.549752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.549752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.549752 (E_RNA)
where:
Base-Base interactions energy: -164.484
where: short stacking energy: -88.108
Base-Backbone interact. energy: -1.153
local terms energy: -92.913456
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -25.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -203.435288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.435288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.435288 (E_RNA)
where:
Base-Base interactions energy: -119.411
where: short stacking energy: -64.497
Base-Backbone interact. energy: -0.810
local terms energy: -83.214392
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -128.845153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.845153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.845153 (E_RNA)
where:
Base-Base interactions energy: -56.582
where: short stacking energy: -41.523
Base-Backbone interact. energy: -0.243
local terms energy: -72.020583
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -116.974330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.974330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.974330 (E_RNA)
where:
Base-Base interactions energy: -49.577
where: short stacking energy: -44.068
Base-Backbone interact. energy: -0.226
local terms energy: -67.171935
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -4.215
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: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -105.635505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.635505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.635505 (E_RNA)
where:
Base-Base interactions energy: -41.596
where: short stacking energy: -35.289
Base-Backbone interact. energy: -0.266
local terms energy: -63.772886
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -108.354213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.354213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.354213 (E_RNA)
where:
Base-Base interactions energy: -52.117
where: short stacking energy: -40.904
Base-Backbone interact. energy: -0.280
local terms energy: -55.957050
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -329.906119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.906119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.906119 (E_RNA)
where:
Base-Base interactions energy: -224.349
where: short stacking energy: -93.610
Base-Backbone interact. energy: -0.469
local terms energy: -105.088129
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -25.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -304.475985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.475985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.475985 (E_RNA)
where:
Base-Base interactions energy: -204.979
where: short stacking energy: -88.374
Base-Backbone interact. energy: -0.713
local terms energy: -98.784108
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -24.344
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -294.738936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.738936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.738936 (E_RNA)
where:
Base-Base interactions energy: -196.529
where: short stacking energy: -96.219
Base-Backbone interact. energy: -0.339
local terms energy: -97.871164
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -17.348
tors. eta vs tors. theta energy: -22.592
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: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -242.439787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.439787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.439787 (E_RNA)
where:
Base-Base interactions energy: -141.807
where: short stacking energy: -77.577
Base-Backbone interact. energy: -0.900
local terms energy: -99.733010
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -237.823854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.823854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.823854 (E_RNA)
where:
Base-Base interactions energy: -139.500
where: short stacking energy: -72.279
Base-Backbone interact. energy: -0.504
local terms energy: -97.819381
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -25.087
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -183.142074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.142074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.142074 (E_RNA)
where:
Base-Base interactions energy: -110.405
where: short stacking energy: -65.803
Base-Backbone interact. energy: 0.597
local terms energy: -73.334526
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -141.176919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.176919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.176919 (E_RNA)
where:
Base-Base interactions energy: -69.215
where: short stacking energy: -59.900
Base-Backbone interact. energy: 1.047
local terms energy: -73.008890
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -119.757344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.757344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.757344 (E_RNA)
where:
Base-Base interactions energy: -45.297
where: short stacking energy: -34.317
Base-Backbone interact. energy: -0.141
local terms energy: -74.318788
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -6.946
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: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -102.326935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.326935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.326935 (E_RNA)
where:
Base-Base interactions energy: -26.971
where: short stacking energy: -23.219
Base-Backbone interact. energy: 0.114
local terms energy: -75.469529
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -106.128894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.128894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.128894 (E_RNA)
where:
Base-Base interactions energy: -43.332
where: short stacking energy: -37.130
Base-Backbone interact. energy: -0.171
local terms energy: -62.625698
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -5.710
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: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -334.628376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.628376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.628376 (E_RNA)
where:
Base-Base interactions energy: -219.736
where: short stacking energy: -95.558
Base-Backbone interact. energy: -0.077
local terms energy: -114.815378
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -27.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -315.173538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.173538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.173538 (E_RNA)
where:
Base-Base interactions energy: -208.338
where: short stacking energy: -95.626
Base-Backbone interact. energy: -0.385
local terms energy: -106.450501
where:
bonds (distance) C4'-P energy: -22.333
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -25.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -294.927282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.927282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.927282 (E_RNA)
where:
Base-Base interactions energy: -189.018
where: short stacking energy: -85.237
Base-Backbone interact. energy: -1.770
local terms energy: -104.139621
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -23.186
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: 109
Temperature: 1.050000
Total energy: -246.929525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.929525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.929525 (E_RNA)
where:
Base-Base interactions energy: -157.223
where: short stacking energy: -78.210
Base-Backbone interact. energy: -0.604
local terms energy: -89.102218
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -235.877229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.877229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.877229 (E_RNA)
where:
Base-Base interactions energy: -139.664
where: short stacking energy: -73.876
Base-Backbone interact. energy: -0.266
local terms energy: -95.947011
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -213.605839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.605839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.605839 (E_RNA)
where:
Base-Base interactions energy: -140.505
where: short stacking energy: -75.562
Base-Backbone interact. energy: 1.625
local terms energy: -74.726058
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -130.098340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.098340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.098340 (E_RNA)
where:
Base-Base interactions energy: -48.565
where: short stacking energy: -48.565
Base-Backbone interact. energy: -0.097
local terms energy: -81.436543
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -9.475
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: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -119.343927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.343927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.343927 (E_RNA)
where:
Base-Base interactions energy: -50.493
where: short stacking energy: -39.718
Base-Backbone interact. energy: -0.663
local terms energy: -68.187473
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -104.164114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.164114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.164114 (E_RNA)
where:
Base-Base interactions energy: -45.377
where: short stacking energy: -45.287
Base-Backbone interact. energy: -0.227
local terms energy: -58.559717
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -95.176216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.176216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.176216 (E_RNA)
where:
Base-Base interactions energy: -46.802
where: short stacking energy: -25.532
Base-Backbone interact. energy: -0.181
local terms energy: -48.193536
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: 4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -320.147710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.147710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.147710 (E_RNA)
where:
Base-Base interactions energy: -215.000
where: short stacking energy: -90.101
Base-Backbone interact. energy: -0.970
local terms energy: -104.177857
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -24.189
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: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -320.110395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.110395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.110395 (E_RNA)
where:
Base-Base interactions energy: -213.627
where: short stacking energy: -95.293
Base-Backbone interact. energy: 0.825
local terms energy: -107.308281
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -291.160471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.160471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.160471 (E_RNA)
where:
Base-Base interactions energy: -197.316
where: short stacking energy: -84.835
Base-Backbone interact. energy: -0.127
local terms energy: -93.717195
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -241.670711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.670711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.670711 (E_RNA)
where:
Base-Base interactions energy: -156.245
where: short stacking energy: -78.343
Base-Backbone interact. energy: -0.770
local terms energy: -84.655437
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -259.100170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.100170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.100170 (E_RNA)
where:
Base-Base interactions energy: -166.474
where: short stacking energy: -86.769
Base-Backbone interact. energy: -0.363
local terms energy: -92.263619
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -21.337
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: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -211.639616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.639616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.639616 (E_RNA)
where:
Base-Base interactions energy: -119.922
where: short stacking energy: -73.118
Base-Backbone interact. energy: -0.088
local terms energy: -91.629828
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -130.571799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.571799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.571799 (E_RNA)
where:
Base-Base interactions energy: -53.379
where: short stacking energy: -38.197
Base-Backbone interact. energy: -0.396
local terms energy: -76.796672
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -121.360556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.360556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.360556 (E_RNA)
where:
Base-Base interactions energy: -52.577
where: short stacking energy: -42.393
Base-Backbone interact. energy: -0.279
local terms energy: -68.505162
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -111.409646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.409646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.409646 (E_RNA)
where:
Base-Base interactions energy: -34.224
where: short stacking energy: -34.224
Base-Backbone interact. energy: 0.375
local terms energy: -77.561535
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -114.672519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.672519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.672519 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -39.401
Base-Backbone interact. energy: -0.166
local terms energy: -73.242015
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -315.421068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.421068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.421068 (E_RNA)
where:
Base-Base interactions energy: -208.620
where: short stacking energy: -95.358
Base-Backbone interact. energy: 1.010
local terms energy: -107.811723
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -298.776151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.776151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.776151 (E_RNA)
where:
Base-Base interactions energy: -199.696
where: short stacking energy: -95.140
Base-Backbone interact. energy: -1.914
local terms energy: -97.165860
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -23.548
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -13.219
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: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -319.725334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.725334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.725334 (E_RNA)
where:
Base-Base interactions energy: -225.339
where: short stacking energy: -99.004
Base-Backbone interact. energy: -0.546
local terms energy: -93.841126
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -251.871619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.871619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.871619 (E_RNA)
where:
Base-Base interactions energy: -161.772
where: short stacking energy: -79.978
Base-Backbone interact. energy: -0.676
local terms energy: -89.423574
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -249.570358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.570358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.570358 (E_RNA)
where:
Base-Base interactions energy: -158.930
where: short stacking energy: -71.955
Base-Backbone interact. energy: -0.150
local terms energy: -90.490762
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -11.304
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: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -195.086220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.086220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.086220 (E_RNA)
where:
Base-Base interactions energy: -107.643
where: short stacking energy: -65.465
Base-Backbone interact. energy: -1.534
local terms energy: -85.909236
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -166.925289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.925289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.925289 (E_RNA)
where:
Base-Base interactions energy: -95.659
where: short stacking energy: -55.760
Base-Backbone interact. energy: -0.249
local terms energy: -71.016885
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -10.399
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: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -149.435913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.435913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.435913 (E_RNA)
where:
Base-Base interactions energy: -80.993
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.228
local terms energy: -68.215628
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -103.325396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.325396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.325396 (E_RNA)
where:
Base-Base interactions energy: -26.305
where: short stacking energy: -22.271
Base-Backbone interact. energy: -0.080
local terms energy: -76.940238
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -108.567896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.567896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.567896 (E_RNA)
where:
Base-Base interactions energy: -38.822
where: short stacking energy: -25.162
Base-Backbone interact. energy: -0.625
local terms energy: -69.121213
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -318.005695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.005695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.005695 (E_RNA)
where:
Base-Base interactions energy: -218.672
where: short stacking energy: -96.794
Base-Backbone interact. energy: -1.070
local terms energy: -98.263795
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -26.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -306.425642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.425642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.425642 (E_RNA)
where:
Base-Base interactions energy: -208.971
where: short stacking energy: -97.492
Base-Backbone interact. energy: 0.618
local terms energy: -98.073312
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -25.887
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: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -320.175216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.175216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.175216 (E_RNA)
where:
Base-Base interactions energy: -213.567
where: short stacking energy: -101.873
Base-Backbone interact. energy: -0.314
local terms energy: -106.294537
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -24.982
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: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -235.854925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.854925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.854925 (E_RNA)
where:
Base-Base interactions energy: -147.123
where: short stacking energy: -73.173
Base-Backbone interact. energy: -0.372
local terms energy: -88.360240
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -244.395910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.395910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.395910 (E_RNA)
where:
Base-Base interactions energy: -157.388
where: short stacking energy: -70.319
Base-Backbone interact. energy: -0.228
local terms energy: -86.780443
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -16.072
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: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -223.497541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.497541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.497541 (E_RNA)
where:
Base-Base interactions energy: -131.482
where: short stacking energy: -61.505
Base-Backbone interact. energy: -0.182
local terms energy: -91.833111
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -167.955431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.955431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.955431 (E_RNA)
where:
Base-Base interactions energy: -88.484
where: short stacking energy: -56.207
Base-Backbone interact. energy: -0.200
local terms energy: -79.270614
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -1.903
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: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -140.643913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.643913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.643913 (E_RNA)
where:
Base-Base interactions energy: -77.874
where: short stacking energy: -40.545
Base-Backbone interact. energy: -0.311
local terms energy: -62.459554
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -113.013821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.013821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.013821 (E_RNA)
where:
Base-Base interactions energy: -53.709
where: short stacking energy: -33.925
Base-Backbone interact. energy: -1.423
local terms energy: -57.881705
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: 4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -104.328631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.328631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.328631 (E_RNA)
where:
Base-Base interactions energy: -34.361
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.433
local terms energy: -69.534858
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: 0.405
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: 113
Temperature: 0.900000
Total energy: -311.497017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.497017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.497017 (E_RNA)
where:
Base-Base interactions energy: -210.829
where: short stacking energy: -94.070
Base-Backbone interact. energy: -0.397
local terms energy: -100.271077
where:
bonds (distance) C4'-P energy: -22.930
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -25.834
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: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -304.529840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.529840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.529840 (E_RNA)
where:
Base-Base interactions energy: -205.549
where: short stacking energy: -88.010
Base-Backbone interact. energy: -0.147
local terms energy: -98.833376
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -25.718
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: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -292.112923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.112923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.112923 (E_RNA)
where:
Base-Base interactions energy: -200.884
where: short stacking energy: -89.071
Base-Backbone interact. energy: -1.642
local terms energy: -89.586945
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -231.386261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.386261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.386261 (E_RNA)
where:
Base-Base interactions energy: -145.234
where: short stacking energy: -69.313
Base-Backbone interact. energy: -0.731
local terms energy: -85.421473
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -16.255
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: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -224.214498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.214498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.214498 (E_RNA)
where:
Base-Base interactions energy: -138.323
where: short stacking energy: -66.434
Base-Backbone interact. energy: -2.003
local terms energy: -83.888537
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -187.357669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.357669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.357669 (E_RNA)
where:
Base-Base interactions energy: -103.583
where: short stacking energy: -63.031
Base-Backbone interact. energy: 0.002
local terms energy: -83.776693
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -129.303239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.303239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.303239 (E_RNA)
where:
Base-Base interactions energy: -53.974
where: short stacking energy: -39.618
Base-Backbone interact. energy: -0.139
local terms energy: -75.189828
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -139.242243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.242243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.242243 (E_RNA)
where:
Base-Base interactions energy: -65.745
where: short stacking energy: -40.805
Base-Backbone interact. energy: -0.434
local terms energy: -73.063787
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -122.435329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.435329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.435329 (E_RNA)
where:
Base-Base interactions energy: -49.014
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.398
local terms energy: -73.023264
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -18.091
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: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -101.834457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.834457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.834457 (E_RNA)
where:
Base-Base interactions energy: -34.342
where: short stacking energy: -34.342
Base-Backbone interact. energy: -0.265
local terms energy: -67.227979
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -0.631
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: 114
Temperature: 0.900000
Total energy: -320.930479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.930479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.930479 (E_RNA)
where:
Base-Base interactions energy: -210.437
where: short stacking energy: -93.898
Base-Backbone interact. energy: -0.648
local terms energy: -109.845671
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -303.873644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.873644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.873644 (E_RNA)
where:
Base-Base interactions energy: -199.623
where: short stacking energy: -88.506
Base-Backbone interact. energy: -0.477
local terms energy: -103.774177
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -289.896399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.896399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.896399 (E_RNA)
where:
Base-Base interactions energy: -188.051
where: short stacking energy: -92.386
Base-Backbone interact. energy: -1.455
local terms energy: -100.390432
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -24.520
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: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -228.185910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.185910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.185910 (E_RNA)
where:
Base-Base interactions energy: -141.264
where: short stacking energy: -65.162
Base-Backbone interact. energy: -1.018
local terms energy: -85.903896
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -11.493
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: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -198.960206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.960206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.960206 (E_RNA)
where:
Base-Base interactions energy: -104.739
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.265
local terms energy: -93.955882
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -229.897044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.897044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.897044 (E_RNA)
where:
Base-Base interactions energy: -145.690
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.171
local terms energy: -84.036277
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -164.671123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.671123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.671123 (E_RNA)
where:
Base-Base interactions energy: -95.281
where: short stacking energy: -54.985
Base-Backbone interact. energy: -0.518
local terms energy: -68.871285
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -117.474031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.474031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.474031 (E_RNA)
where:
Base-Base interactions energy: -46.884
where: short stacking energy: -40.826
Base-Backbone interact. energy: -0.074
local terms energy: -70.515891
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -108.818800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.818800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.818800 (E_RNA)
where:
Base-Base interactions energy: -39.258
where: short stacking energy: -39.258
Base-Backbone interact. energy: -0.018
local terms energy: -69.542744
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -7.599
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: 114
Temperature: 1.350000
Total energy: -107.328487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.328487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.328487 (E_RNA)
where:
Base-Base interactions energy: -39.080
where: short stacking energy: -37.305
Base-Backbone interact. energy: -1.104
local terms energy: -67.144657
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -321.164939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.164939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.164939 (E_RNA)
where:
Base-Base interactions energy: -225.420
where: short stacking energy: -98.439
Base-Backbone interact. energy: 0.289
local terms energy: -96.033193
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -26.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -312.595495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.595495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.595495 (E_RNA)
where:
Base-Base interactions energy: -207.187
where: short stacking energy: -94.878
Base-Backbone interact. energy: -1.634
local terms energy: -103.773979
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -25.365
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: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -316.247410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.247410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.247410 (E_RNA)
where:
Base-Base interactions energy: -208.447
where: short stacking energy: -92.023
Base-Backbone interact. energy: -0.348
local terms energy: -107.452498
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -25.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -209.013501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.013501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.013501 (E_RNA)
where:
Base-Base interactions energy: -126.155
where: short stacking energy: -76.654
Base-Backbone interact. energy: -0.256
local terms energy: -82.602295
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -195.407756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.407756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.407756 (E_RNA)
where:
Base-Base interactions energy: -110.365
where: short stacking energy: -70.739
Base-Backbone interact. energy: -2.516
local terms energy: -82.526827
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -14.854
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: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -204.378037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.378037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.378037 (E_RNA)
where:
Base-Base interactions energy: -115.928
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.182
local terms energy: -88.268267
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -13.626
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: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -178.520608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.520608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.520608 (E_RNA)
where:
Base-Base interactions energy: -98.284
where: short stacking energy: -62.857
Base-Backbone interact. energy: 0.674
local terms energy: -80.909897
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -11.746
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: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -112.228803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.228803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.228803 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -40.035
Base-Backbone interact. energy: -0.179
local terms energy: -70.682230
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -110.541866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.541866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.541866 (E_RNA)
where:
Base-Base interactions energy: -46.671
where: short stacking energy: -44.536
Base-Backbone interact. energy: 2.271
local terms energy: -66.141956
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -9.676
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: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -110.164185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.164185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.164185 (E_RNA)
where:
Base-Base interactions energy: -44.477
where: short stacking energy: -41.239
Base-Backbone interact. energy: -0.096
local terms energy: -65.591153
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -323.549264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.549264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.549264 (E_RNA)
where:
Base-Base interactions energy: -214.286
where: short stacking energy: -93.838
Base-Backbone interact. energy: -0.477
local terms energy: -108.786901
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -25.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -308.292020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.292020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.292020 (E_RNA)
where:
Base-Base interactions energy: -204.833
where: short stacking energy: -99.365
Base-Backbone interact. energy: 0.240
local terms energy: -103.699317
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -311.030331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.030331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.030331 (E_RNA)
where:
Base-Base interactions energy: -214.617
where: short stacking energy: -87.113
Base-Backbone interact. energy: -0.354
local terms energy: -96.059662
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -218.173884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.173884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.173884 (E_RNA)
where:
Base-Base interactions energy: -131.989
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.764
local terms energy: -85.420840
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -210.588547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.588547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.588547 (E_RNA)
where:
Base-Base interactions energy: -122.174
where: short stacking energy: -73.076
Base-Backbone interact. energy: -1.432
local terms energy: -86.982746
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -11.123
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: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -195.181519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.181519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.181519 (E_RNA)
where:
Base-Base interactions energy: -111.412
where: short stacking energy: -48.910
Base-Backbone interact. energy: -0.061
local terms energy: -83.708576
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -175.240157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.240157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.240157 (E_RNA)
where:
Base-Base interactions energy: -89.985
where: short stacking energy: -56.208
Base-Backbone interact. energy: 0.518
local terms energy: -85.772187
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -8.813
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: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -151.100779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.100779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.100779 (E_RNA)
where:
Base-Base interactions energy: -77.554
where: short stacking energy: -40.344
Base-Backbone interact. energy: -0.351
local terms energy: -73.196039
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -121.463656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.463656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.463656 (E_RNA)
where:
Base-Base interactions energy: -52.420
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.202
local terms energy: -68.841996
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -7.253
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: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -98.502637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.502637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.502637 (E_RNA)
where:
Base-Base interactions energy: -40.369
where: short stacking energy: -34.982
Base-Backbone interact. energy: -0.209
local terms energy: -57.924644
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: 0.956
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: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -314.271577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.271577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.271577 (E_RNA)
where:
Base-Base interactions energy: -211.885
where: short stacking energy: -94.068
Base-Backbone interact. energy: -1.422
local terms energy: -100.963885
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -25.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -313.460691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.460691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.460691 (E_RNA)
where:
Base-Base interactions energy: -206.216
where: short stacking energy: -88.805
Base-Backbone interact. energy: -0.481
local terms energy: -106.763764
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -31.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -301.611020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.611020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.611020 (E_RNA)
where:
Base-Base interactions energy: -204.776
where: short stacking energy: -101.209
Base-Backbone interact. energy: -1.255
local terms energy: -95.579940
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -26.172
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: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -205.713990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.713990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.713990 (E_RNA)
where:
Base-Base interactions energy: -117.254
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.471
local terms energy: -87.989536
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -18.942
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: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -213.849041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.849041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.849041 (E_RNA)
where:
Base-Base interactions energy: -128.228
where: short stacking energy: -79.905
Base-Backbone interact. energy: -1.158
local terms energy: -84.463001
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -167.842987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.842987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.842987 (E_RNA)
where:
Base-Base interactions energy: -89.732
where: short stacking energy: -51.767
Base-Backbone interact. energy: -0.239
local terms energy: -77.871407
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -8.962
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: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -144.679882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.679882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.679882 (E_RNA)
where:
Base-Base interactions energy: -77.212
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.937
local terms energy: -66.531330
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -162.313384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.313384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.313384 (E_RNA)
where:
Base-Base interactions energy: -90.760
where: short stacking energy: -44.279
Base-Backbone interact. energy: -1.165
local terms energy: -70.388254
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -10.434
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: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -103.395743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.395743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.395743 (E_RNA)
where:
Base-Base interactions energy: -38.793
where: short stacking energy: -26.605
Base-Backbone interact. energy: 2.101
local terms energy: -66.703948
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -16.650
tors. eta vs tors. theta energy: 4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -104.600316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.600316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.600316 (E_RNA)
where:
Base-Base interactions energy: -39.024
where: short stacking energy: -32.842
Base-Backbone interact. energy: -0.546
local terms energy: -65.030585
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -325.434070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.434070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.434070 (E_RNA)
where:
Base-Base interactions energy: -218.081
where: short stacking energy: -99.493
Base-Backbone interact. energy: -0.828
local terms energy: -106.524664
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -24.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -311.272391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.272391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.272391 (E_RNA)
where:
Base-Base interactions energy: -211.750
where: short stacking energy: -95.308
Base-Backbone interact. energy: -0.674
local terms energy: -98.848390
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -27.682
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: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -292.960005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.960005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.960005 (E_RNA)
where:
Base-Base interactions energy: -197.437
where: short stacking energy: -92.134
Base-Backbone interact. energy: -0.136
local terms energy: -95.387359
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -229.878538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.878538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.878538 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.073
local terms energy: -93.200496
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -238.129044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.129044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.129044 (E_RNA)
where:
Base-Base interactions energy: -148.045
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.743
local terms energy: -89.340818
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -203.605714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.605714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.605714 (E_RNA)
where:
Base-Base interactions energy: -117.823
where: short stacking energy: -68.197
Base-Backbone interact. energy: -0.035
local terms energy: -85.747449
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -133.023145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.023145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.023145 (E_RNA)
where:
Base-Base interactions energy: -54.818
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.238
local terms energy: -77.967309
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -19.578
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -114.905809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.905809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.905809 (E_RNA)
where:
Base-Base interactions energy: -51.786
where: short stacking energy: -38.455
Base-Backbone interact. energy: -0.241
local terms energy: -62.878330
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -111.269653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.269653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.269653 (E_RNA)
where:
Base-Base interactions energy: -41.417
where: short stacking energy: -25.550
Base-Backbone interact. energy: -0.043
local terms energy: -69.809429
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: 1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -102.466509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.466509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.466509 (E_RNA)
where:
Base-Base interactions energy: -40.905
where: short stacking energy: -27.336
Base-Backbone interact. energy: 1.813
local terms energy: -63.373976
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -328.186580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.186580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.186580 (E_RNA)
where:
Base-Base interactions energy: -221.219
where: short stacking energy: -96.398
Base-Backbone interact. energy: 1.236
local terms energy: -108.203645
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -295.843767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.843767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.843767 (E_RNA)
where:
Base-Base interactions energy: -191.358
where: short stacking energy: -90.563
Base-Backbone interact. energy: -0.872
local terms energy: -103.613241
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -24.490
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: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -288.675664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.675664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.675664 (E_RNA)
where:
Base-Base interactions energy: -191.170
where: short stacking energy: -88.751
Base-Backbone interact. energy: -0.806
local terms energy: -96.700422
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -257.738042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.738042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.738042 (E_RNA)
where:
Base-Base interactions energy: -164.007
where: short stacking energy: -79.247
Base-Backbone interact. energy: 0.469
local terms energy: -94.199417
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -19.806
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: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -240.583910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.583910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.583910 (E_RNA)
where:
Base-Base interactions energy: -150.399
where: short stacking energy: -74.588
Base-Backbone interact. energy: -0.756
local terms energy: -89.428552
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -204.138567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.138567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.138567 (E_RNA)
where:
Base-Base interactions energy: -120.732
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.109
local terms energy: -83.297818
where:
bonds (distance) C4'-P energy: -20.390
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -129.501698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.501698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.501698 (E_RNA)
where:
Base-Base interactions energy: -58.208
where: short stacking energy: -52.755
Base-Backbone interact. energy: 0.544
local terms energy: -71.837672
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -9.711
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: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -120.476402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.476402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.476402 (E_RNA)
where:
Base-Base interactions energy: -55.120
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.127
local terms energy: -65.229644
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -109.775996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.775996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.775996 (E_RNA)
where:
Base-Base interactions energy: -41.869
where: short stacking energy: -41.869
Base-Backbone interact. energy: -0.561
local terms energy: -67.346262
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -4.811
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: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -99.630501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.630501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.630501 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.221
local terms energy: -64.281147
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: 4.202
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: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -330.829372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.829372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.829372 (E_RNA)
where:
Base-Base interactions energy: -223.708
where: short stacking energy: -100.055
Base-Backbone interact. energy: -0.186
local terms energy: -106.935426
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -25.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -306.886092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.886092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.886092 (E_RNA)
where:
Base-Base interactions energy: -203.670
where: short stacking energy: -89.839
Base-Backbone interact. energy: -1.164
local terms energy: -102.051709
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -294.635471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.635471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.635471 (E_RNA)
where:
Base-Base interactions energy: -195.000
where: short stacking energy: -87.632
Base-Backbone interact. energy: -3.254
local terms energy: -96.382167
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -22.673
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -259.513832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.513832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.513832 (E_RNA)
where:
Base-Base interactions energy: -169.930
where: short stacking energy: -76.858
Base-Backbone interact. energy: 0.753
local terms energy: -90.337335
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -194.714232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.714232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.714232 (E_RNA)
where:
Base-Base interactions energy: -110.140
where: short stacking energy: -62.547
Base-Backbone interact. energy: -1.409
local terms energy: -83.165254
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -210.327406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.327406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.327406 (E_RNA)
where:
Base-Base interactions energy: -128.166
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.892
local terms energy: -81.269955
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -141.198332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.198332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.198332 (E_RNA)
where:
Base-Base interactions energy: -66.125
where: short stacking energy: -51.186
Base-Backbone interact. energy: -0.176
local terms energy: -74.897018
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -129.773924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.773924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.773924 (E_RNA)
where:
Base-Base interactions energy: -58.031
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.617
local terms energy: -71.125748
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -99.329576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.329576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.329576 (E_RNA)
where:
Base-Base interactions energy: -37.334
where: short stacking energy: -36.228
Base-Backbone interact. energy: 0.262
local terms energy: -62.258239
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -107.823992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.823992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.823992 (E_RNA)
where:
Base-Base interactions energy: -45.959
where: short stacking energy: -30.481
Base-Backbone interact. energy: 0.165
local terms energy: -62.029308
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -0.946
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: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -327.535295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.535295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.535295 (E_RNA)
where:
Base-Base interactions energy: -224.646
where: short stacking energy: -95.402
Base-Backbone interact. energy: -0.122
local terms energy: -102.768147
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -23.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -311.953048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.953048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.953048 (E_RNA)
where:
Base-Base interactions energy: -207.810
where: short stacking energy: -100.130
Base-Backbone interact. energy: -0.579
local terms energy: -103.563876
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -27.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -293.790927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.790927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.790927 (E_RNA)
where:
Base-Base interactions energy: -185.600
where: short stacking energy: -83.796
Base-Backbone interact. energy: -0.216
local terms energy: -107.975066
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -26.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -272.290933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.290933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.290933 (E_RNA)
where:
Base-Base interactions energy: -177.723
where: short stacking energy: -75.411
Base-Backbone interact. energy: -0.658
local terms energy: -93.909551
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -15.794
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: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -193.036684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.036684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.036684 (E_RNA)
where:
Base-Base interactions energy: -107.661
where: short stacking energy: -57.281
Base-Backbone interact. energy: 0.568
local terms energy: -85.943558
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -14.348
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -196.718797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.718797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.718797 (E_RNA)
where:
Base-Base interactions energy: -121.536
where: short stacking energy: -63.302
Base-Backbone interact. energy: -0.962
local terms energy: -74.220891
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -17.172
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: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -159.945098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.945098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.945098 (E_RNA)
where:
Base-Base interactions energy: -89.275
where: short stacking energy: -42.779
Base-Backbone interact. energy: 2.304
local terms energy: -72.974949
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -114.973728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.973728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.973728 (E_RNA)
where:
Base-Base interactions energy: -63.664
where: short stacking energy: -38.722
Base-Backbone interact. energy: -0.067
local terms energy: -51.242299
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: 3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -108.052008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.052008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.052008 (E_RNA)
where:
Base-Base interactions energy: -51.525
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.519
local terms energy: -56.008409
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -102.280877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.280877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.280877 (E_RNA)
where:
Base-Base interactions energy: -47.064
where: short stacking energy: -32.057
Base-Backbone interact. energy: 0.116
local terms energy: -55.332288
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -325.326588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.326588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.326588 (E_RNA)
where:
Base-Base interactions energy: -219.911
where: short stacking energy: -89.369
Base-Backbone interact. energy: -0.487
local terms energy: -104.928066
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -16.500
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: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -305.912523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.912523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.912523 (E_RNA)
where:
Base-Base interactions energy: -210.344
where: short stacking energy: -102.898
Base-Backbone interact. energy: 2.209
local terms energy: -97.777667
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -22.773
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: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -283.698494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.698494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.698494 (E_RNA)
where:
Base-Base interactions energy: -197.949
where: short stacking energy: -94.024
Base-Backbone interact. energy: -0.184
local terms energy: -85.566172
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -21.268
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: 122
Temperature: 1.050000
Total energy: -285.089423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.089423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.089423 (E_RNA)
where:
Base-Base interactions energy: -190.315
where: short stacking energy: -73.863
Base-Backbone interact. energy: 0.399
local terms energy: -95.173883
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -184.268373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.268373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.268373 (E_RNA)
where:
Base-Base interactions energy: -111.447
where: short stacking energy: -42.875
Base-Backbone interact. energy: -1.340
local terms energy: -71.481244
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -194.776134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.776134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.776134 (E_RNA)
where:
Base-Base interactions energy: -120.099
where: short stacking energy: -65.932
Base-Backbone interact. energy: -1.213
local terms energy: -73.464162
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -16.147
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: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -149.536131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.536131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.536131 (E_RNA)
where:
Base-Base interactions energy: -76.756
where: short stacking energy: -51.952
Base-Backbone interact. energy: 0.574
local terms energy: -73.354125
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -126.867962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.867962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.867962 (E_RNA)
where:
Base-Base interactions energy: -64.431
where: short stacking energy: -34.738
Base-Backbone interact. energy: -0.468
local terms energy: -61.969162
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -6.372
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: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -106.804114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.804114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.804114 (E_RNA)
where:
Base-Base interactions energy: -38.882
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.219
local terms energy: -67.702985
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -106.224511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.224511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.224511 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -34.244
Base-Backbone interact. energy: 0.146
local terms energy: -64.265957
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -330.981338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.981338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.981338 (E_RNA)
where:
Base-Base interactions energy: -222.076
where: short stacking energy: -99.093
Base-Backbone interact. energy: -0.226
local terms energy: -108.679334
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -24.537
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: 123
Temperature: 0.950000
Total energy: -288.948594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.948594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.948594 (E_RNA)
where:
Base-Base interactions energy: -188.766
where: short stacking energy: -89.475
Base-Backbone interact. energy: -0.045
local terms energy: -100.136828
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -13.322
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: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -302.996212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.996212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.996212 (E_RNA)
where:
Base-Base interactions energy: -201.469
where: short stacking energy: -101.094
Base-Backbone interact. energy: -0.366
local terms energy: -101.161609
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -25.659
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: 123
Temperature: 1.050000
Total energy: -273.600523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.600523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.600523 (E_RNA)
where:
Base-Base interactions energy: -181.229
where: short stacking energy: -78.855
Base-Backbone interact. energy: -0.856
local terms energy: -91.515889
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -159.420205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.420205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.420205 (E_RNA)
where:
Base-Base interactions energy: -77.509
where: short stacking energy: -51.056
Base-Backbone interact. energy: -1.262
local terms energy: -80.648761
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -9.074
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: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -127.373583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.373583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.373583 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -41.422
Base-Backbone interact. energy: -0.818
local terms energy: -79.912768
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -182.807814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.807814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.807814 (E_RNA)
where:
Base-Base interactions energy: -105.441
where: short stacking energy: -70.841
Base-Backbone interact. energy: 0.247
local terms energy: -77.614015
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -15.559
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: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -119.755568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.755568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.755568 (E_RNA)
where:
Base-Base interactions energy: -39.216
where: short stacking energy: -37.604
Base-Backbone interact. energy: -0.297
local terms energy: -80.241788
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -5.388
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: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -125.274017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.274017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.274017 (E_RNA)
where:
Base-Base interactions energy: -50.215
where: short stacking energy: -44.444
Base-Backbone interact. energy: -0.106
local terms energy: -74.952441
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -98.600235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.600235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.600235 (E_RNA)
where:
Base-Base interactions energy: -46.110
where: short stacking energy: -42.163
Base-Backbone interact. energy: -0.571
local terms energy: -51.919109
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -329.181682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.181682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.181682 (E_RNA)
where:
Base-Base interactions energy: -227.361
where: short stacking energy: -101.895
Base-Backbone interact. energy: -0.237
local terms energy: -101.583419
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -26.968
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: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -290.163763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.163763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.163763 (E_RNA)
where:
Base-Base interactions energy: -190.353
where: short stacking energy: -87.628
Base-Backbone interact. energy: -0.121
local terms energy: -99.690016
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -20.388
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: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -290.195008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.195008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.195008 (E_RNA)
where:
Base-Base interactions energy: -187.895
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.707
local terms energy: -101.593274
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -24.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -307.211333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.211333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.211333 (E_RNA)
where:
Base-Base interactions energy: -203.362
where: short stacking energy: -94.278
Base-Backbone interact. energy: -0.075
local terms energy: -103.774986
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -30.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -186.562570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.562570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.562570 (E_RNA)
where:
Base-Base interactions energy: -95.667
where: short stacking energy: -61.297
Base-Backbone interact. energy: -0.796
local terms energy: -90.100241
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -128.141858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.141858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.141858 (E_RNA)
where:
Base-Base interactions energy: -53.392
where: short stacking energy: -50.717
Base-Backbone interact. energy: -0.195
local terms energy: -74.554671
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -10.434
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: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -180.308761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.308761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.308761 (E_RNA)
where:
Base-Base interactions energy: -103.178
where: short stacking energy: -59.246
Base-Backbone interact. energy: 0.317
local terms energy: -77.448542
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -110.721578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.721578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.721578 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -33.175
Base-Backbone interact. energy: -0.186
local terms energy: -77.360170
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -108.424805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.424805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.424805 (E_RNA)
where:
Base-Base interactions energy: -49.027
where: short stacking energy: -36.431
Base-Backbone interact. energy: 0.165
local terms energy: -59.562470
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -107.736658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.736658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.736658 (E_RNA)
where:
Base-Base interactions energy: -42.121
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.508
local terms energy: -65.107411
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -1.487
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: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -328.908985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.908985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.908985 (E_RNA)
where:
Base-Base interactions energy: -220.222
where: short stacking energy: -87.987
Base-Backbone interact. energy: -0.047
local terms energy: -108.640615
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -26.070
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: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -293.071354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.071354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.071354 (E_RNA)
where:
Base-Base interactions energy: -190.357
where: short stacking energy: -91.312
Base-Backbone interact. energy: -0.805
local terms energy: -101.910078
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -25.438
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: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -276.963270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.963270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.963270 (E_RNA)
where:
Base-Base interactions energy: -185.580
where: short stacking energy: -81.494
Base-Backbone interact. energy: -0.583
local terms energy: -90.800612
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -298.806014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.806014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.806014 (E_RNA)
where:
Base-Base interactions energy: -195.976
where: short stacking energy: -91.734
Base-Backbone interact. energy: 0.096
local terms energy: -102.926154
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -25.685
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: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -174.708167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.708167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.708167 (E_RNA)
where:
Base-Base interactions energy: -86.626
where: short stacking energy: -51.445
Base-Backbone interact. energy: -1.690
local terms energy: -86.392862
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -181.714221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.714221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.714221 (E_RNA)
where:
Base-Base interactions energy: -108.778
where: short stacking energy: -52.525
Base-Backbone interact. energy: -0.160
local terms energy: -72.775937
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -113.549323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.549323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.549323 (E_RNA)
where:
Base-Base interactions energy: -46.437
where: short stacking energy: -44.034
Base-Backbone interact. energy: -0.327
local terms energy: -66.785076
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -112.823193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.823193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.823193 (E_RNA)
where:
Base-Base interactions energy: -46.640
where: short stacking energy: -35.698
Base-Backbone interact. energy: 0.253
local terms energy: -66.435868
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: 4.484
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: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -109.914051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.914051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.914051 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -36.235
Base-Backbone interact. energy: -0.107
local terms energy: -73.571438
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -103.373481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.373481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.373481 (E_RNA)
where:
Base-Base interactions energy: -38.832
where: short stacking energy: -38.832
Base-Backbone interact. energy: -0.343
local terms energy: -64.197933
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -304.024886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.024886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.024886 (E_RNA)
where:
Base-Base interactions energy: -197.407
where: short stacking energy: -84.050
Base-Backbone interact. energy: -0.971
local terms energy: -105.646833
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -23.859
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -25.968
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: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -311.193897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.193897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.193897 (E_RNA)
where:
Base-Base interactions energy: -204.409
where: short stacking energy: -93.756
Base-Backbone interact. energy: -0.196
local terms energy: -106.588428
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -296.173643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.173643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.173643 (E_RNA)
where:
Base-Base interactions energy: -196.537
where: short stacking energy: -90.384
Base-Backbone interact. energy: -0.222
local terms energy: -99.415055
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -24.923
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: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -256.738896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.738896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.738896 (E_RNA)
where:
Base-Base interactions energy: -174.656
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.135
local terms energy: -81.947256
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -12.239
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: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -217.114159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.114159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.114159 (E_RNA)
where:
Base-Base interactions energy: -144.794
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.118
local terms energy: -72.201736
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -6.469
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: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -183.783779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.783779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.783779 (E_RNA)
where:
Base-Base interactions energy: -98.512
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.272
local terms energy: -84.999921
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -25.239
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -161.838323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.838323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.838323 (E_RNA)
where:
Base-Base interactions energy: -82.719
where: short stacking energy: -55.117
Base-Backbone interact. energy: -0.108
local terms energy: -79.010916
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -8.808
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: 126
Temperature: 1.250000
Total energy: -129.338097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.338097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.338097 (E_RNA)
where:
Base-Base interactions energy: -58.867
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.034
local terms energy: -70.437587
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -109.559355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.559355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.559355 (E_RNA)
where:
Base-Base interactions energy: -49.050
where: short stacking energy: -28.127
Base-Backbone interact. energy: -1.416
local terms energy: -59.093769
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -102.877118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.877118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.877118 (E_RNA)
where:
Base-Base interactions energy: -41.995
where: short stacking energy: -32.799
Base-Backbone interact. energy: -0.182
local terms energy: -60.699467
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -311.321383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.321383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.321383 (E_RNA)
where:
Base-Base interactions energy: -206.971
where: short stacking energy: -92.140
Base-Backbone interact. energy: -0.076
local terms energy: -104.274613
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -31.235
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: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -323.632828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.632828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.632828 (E_RNA)
where:
Base-Base interactions energy: -214.648
where: short stacking energy: -93.151
Base-Backbone interact. energy: -0.875
local terms energy: -108.109366
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -27.630
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: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -306.511883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.511883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.511883 (E_RNA)
where:
Base-Base interactions energy: -203.022
where: short stacking energy: -94.296
Base-Backbone interact. energy: -0.107
local terms energy: -103.383253
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -254.927350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.927350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.927350 (E_RNA)
where:
Base-Base interactions energy: -164.205
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.614
local terms energy: -90.108428
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -21.107
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: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -243.249592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.249592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.249592 (E_RNA)
where:
Base-Base interactions energy: -153.037
where: short stacking energy: -74.205
Base-Backbone interact. energy: -0.661
local terms energy: -89.551543
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -181.224054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.224054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.224054 (E_RNA)
where:
Base-Base interactions energy: -95.688
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.261
local terms energy: -85.274515
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -15.862
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: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -140.724341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.724341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.724341 (E_RNA)
where:
Base-Base interactions energy: -66.193
where: short stacking energy: -51.501
Base-Backbone interact. energy: -0.060
local terms energy: -74.471848
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -111.741709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.741709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.741709 (E_RNA)
where:
Base-Base interactions energy: -43.581
where: short stacking energy: -42.337
Base-Backbone interact. energy: -0.382
local terms energy: -67.778907
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -103.870650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.870650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.870650 (E_RNA)
where:
Base-Base interactions energy: -25.369
where: short stacking energy: -25.369
Base-Backbone interact. energy: -2.058
local terms energy: -76.443151
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -26.446
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -5.876
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: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -101.943485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.943485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.943485 (E_RNA)
where:
Base-Base interactions energy: -39.750
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.234
local terms energy: -61.959424
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -311.096191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.096191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.096191 (E_RNA)
where:
Base-Base interactions energy: -197.513
where: short stacking energy: -95.108
Base-Backbone interact. energy: -1.970
local terms energy: -111.613269
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -30.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -325.137649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.137649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.137649 (E_RNA)
where:
Base-Base interactions energy: -223.609
where: short stacking energy: -98.202
Base-Backbone interact. energy: -0.870
local terms energy: -100.658844
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -289.775263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.775263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.775263 (E_RNA)
where:
Base-Base interactions energy: -192.080
where: short stacking energy: -92.694
Base-Backbone interact. energy: -0.178
local terms energy: -97.517850
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -232.489569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.489569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.489569 (E_RNA)
where:
Base-Base interactions energy: -143.235
where: short stacking energy: -67.907
Base-Backbone interact. energy: -0.035
local terms energy: -89.220204
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -21.737
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: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -238.364691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.364691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.364691 (E_RNA)
where:
Base-Base interactions energy: -156.803
where: short stacking energy: -78.990
Base-Backbone interact. energy: -0.499
local terms energy: -81.062105
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -7.115
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: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -177.096149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.096149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.096149 (E_RNA)
where:
Base-Base interactions energy: -95.049
where: short stacking energy: -55.886
Base-Backbone interact. energy: -0.484
local terms energy: -81.563314
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -122.991964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.991964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.991964 (E_RNA)
where:
Base-Base interactions energy: -50.396
where: short stacking energy: -37.056
Base-Backbone interact. energy: -0.268
local terms energy: -72.328223
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -121.486384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.486384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.486384 (E_RNA)
where:
Base-Base interactions energy: -45.487
where: short stacking energy: -41.861
Base-Backbone interact. energy: -0.124
local terms energy: -75.875820
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -3.165
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: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -108.743736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.743736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.743736 (E_RNA)
where:
Base-Base interactions energy: -40.036
where: short stacking energy: -27.274
Base-Backbone interact. energy: -0.715
local terms energy: -67.992958
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -108.013455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.013455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.013455 (E_RNA)
where:
Base-Base interactions energy: -38.545
where: short stacking energy: -38.545
Base-Backbone interact. energy: -0.088
local terms energy: -69.380120
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -11.823
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: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -309.852341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.852341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.852341 (E_RNA)
where:
Base-Base interactions energy: -208.509
where: short stacking energy: -96.440
Base-Backbone interact. energy: 1.837
local terms energy: -103.179898
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -26.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -299.427475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.427475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.427475 (E_RNA)
where:
Base-Base interactions energy: -199.195
where: short stacking energy: -88.069
Base-Backbone interact. energy: 1.141
local terms energy: -101.373841
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -304.852280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.852280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.852280 (E_RNA)
where:
Base-Base interactions energy: -201.882
where: short stacking energy: -92.827
Base-Backbone interact. energy: -0.816
local terms energy: -102.154336
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -22.784
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -24.634
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: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -249.030254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.030254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.030254 (E_RNA)
where:
Base-Base interactions energy: -156.507
where: short stacking energy: -78.439
Base-Backbone interact. energy: -0.029
local terms energy: -92.494758
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -22.850
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: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -217.395098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.395098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.395098 (E_RNA)
where:
Base-Base interactions energy: -123.439
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.224
local terms energy: -93.731370
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -166.368596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.368596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.368596 (E_RNA)
where:
Base-Base interactions energy: -82.104
where: short stacking energy: -61.864
Base-Backbone interact. energy: 1.487
local terms energy: -85.751818
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -141.584671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.584671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.584671 (E_RNA)
where:
Base-Base interactions energy: -72.648
where: short stacking energy: -39.990
Base-Backbone interact. energy: -1.146
local terms energy: -67.790699
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.328
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: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -107.398374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.398374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.398374 (E_RNA)
where:
Base-Base interactions energy: -50.474
where: short stacking energy: -46.566
Base-Backbone interact. energy: -0.389
local terms energy: -56.535816
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -132.311771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.311771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.311771 (E_RNA)
where:
Base-Base interactions energy: -73.732
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.051
local terms energy: -58.529162
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -4.864
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: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -103.748487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.748487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.748487 (E_RNA)
where:
Base-Base interactions energy: -33.011
where: short stacking energy: -31.108
Base-Backbone interact. energy: 0.854
local terms energy: -71.590782
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -12.560
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: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -304.929634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.929634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.929634 (E_RNA)
where:
Base-Base interactions energy: -202.185
where: short stacking energy: -96.836
Base-Backbone interact. energy: -0.558
local terms energy: -102.186491
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -23.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -301.622249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.622249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.622249 (E_RNA)
where:
Base-Base interactions energy: -194.971
where: short stacking energy: -86.167
Base-Backbone interact. energy: 1.163
local terms energy: -107.813877
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -23.394
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: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -295.274892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.274892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.274892 (E_RNA)
where:
Base-Base interactions energy: -195.357
where: short stacking energy: -90.517
Base-Backbone interact. energy: 0.578
local terms energy: -100.495672
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -25.102
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: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -248.298242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.298242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.298242 (E_RNA)
where:
Base-Base interactions energy: -145.027
where: short stacking energy: -78.236
Base-Backbone interact. energy: 1.538
local terms energy: -104.809786
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -21.709
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: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -207.066742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.066742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.066742 (E_RNA)
where:
Base-Base interactions energy: -133.002
where: short stacking energy: -60.969
Base-Backbone interact. energy: 1.612
local terms energy: -75.676299
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -160.089878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.089878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.089878 (E_RNA)
where:
Base-Base interactions energy: -82.230
where: short stacking energy: -71.497
Base-Backbone interact. energy: -0.774
local terms energy: -77.085869
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -119.879067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.879067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.879067 (E_RNA)
where:
Base-Base interactions energy: -50.119
where: short stacking energy: -39.572
Base-Backbone interact. energy: -0.907
local terms energy: -68.852646
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -121.340515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.340515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.340515 (E_RNA)
where:
Base-Base interactions energy: -48.525
where: short stacking energy: -48.525
Base-Backbone interact. energy: -0.233
local terms energy: -72.582595
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -6.058
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: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -103.627064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.627064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.627064 (E_RNA)
where:
Base-Base interactions energy: -34.917
where: short stacking energy: -33.414
Base-Backbone interact. energy: -0.204
local terms energy: -68.505864
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -3.788
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: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -99.223684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.223684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.223684 (E_RNA)
where:
Base-Base interactions energy: -27.175
where: short stacking energy: -17.325
Base-Backbone interact. energy: 0.215
local terms energy: -72.264025
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: 1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -309.806528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.806528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.806528 (E_RNA)
where:
Base-Base interactions energy: -206.318
where: short stacking energy: -102.530
Base-Backbone interact. energy: -0.295
local terms energy: -103.194246
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -23.258
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: 131
Temperature: 0.950000
Total energy: -308.140912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.140912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.140912 (E_RNA)
where:
Base-Base interactions energy: -198.577
where: short stacking energy: -89.566
Base-Backbone interact. energy: -0.075
local terms energy: -109.488833
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -298.727986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.727986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.727986 (E_RNA)
where:
Base-Base interactions energy: -201.084
where: short stacking energy: -86.620
Base-Backbone interact. energy: -0.238
local terms energy: -97.405442
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -26.088
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: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -240.177259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.177259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.177259 (E_RNA)
where:
Base-Base interactions energy: -152.397
where: short stacking energy: -81.817
Base-Backbone interact. energy: -0.859
local terms energy: -86.921317
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -200.782640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.782640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.782640 (E_RNA)
where:
Base-Base interactions energy: -114.625
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.276
local terms energy: -85.881290
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -13.402
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: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -123.740989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.740989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.740989 (E_RNA)
where:
Base-Base interactions energy: -48.892
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.187
local terms energy: -74.661804
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -146.263829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.263829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.263829 (E_RNA)
where:
Base-Base interactions energy: -87.184
where: short stacking energy: -46.233
Base-Backbone interact. energy: -0.134
local terms energy: -58.945397
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -1.042
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: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -112.694696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.694696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.694696 (E_RNA)
where:
Base-Base interactions energy: -47.156
where: short stacking energy: -39.284
Base-Backbone interact. energy: 0.710
local terms energy: -66.248781
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -3.465
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -115.695607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.695607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.695607 (E_RNA)
where:
Base-Base interactions energy: -50.397
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.157
local terms energy: -65.142309
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -8.128
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: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -104.654754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.654754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.654754 (E_RNA)
where:
Base-Base interactions energy: -46.320
where: short stacking energy: -41.722
Base-Backbone interact. energy: 0.241
local terms energy: -58.575728
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -302.047040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.047040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.047040 (E_RNA)
where:
Base-Base interactions energy: -198.982
where: short stacking energy: -97.695
Base-Backbone interact. energy: -1.449
local terms energy: -101.616360
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -311.261779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.261779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.261779 (E_RNA)
where:
Base-Base interactions energy: -204.830
where: short stacking energy: -98.692
Base-Backbone interact. energy: -0.705
local terms energy: -105.726250
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -26.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -300.793786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.793786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.793786 (E_RNA)
where:
Base-Base interactions energy: -201.585
where: short stacking energy: -74.468
Base-Backbone interact. energy: -0.354
local terms energy: -98.854815
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -23.532
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -281.379037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.379037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.379037 (E_RNA)
where:
Base-Base interactions energy: -188.261
where: short stacking energy: -82.989
Base-Backbone interact. energy: -0.503
local terms energy: -92.615386
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -174.041139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.041139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.041139 (E_RNA)
where:
Base-Base interactions energy: -87.923
where: short stacking energy: -59.706
Base-Backbone interact. energy: -0.097
local terms energy: -86.021716
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -14.975
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: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -141.036016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.036016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.036016 (E_RNA)
where:
Base-Base interactions energy: -60.540
where: short stacking energy: -57.364
Base-Backbone interact. energy: -0.417
local terms energy: -80.079569
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -6.785
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: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -118.695841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.695841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.695841 (E_RNA)
where:
Base-Base interactions energy: -49.593
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.299
local terms energy: -68.803447
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -148.687420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.687420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.687420 (E_RNA)
where:
Base-Base interactions energy: -85.460
where: short stacking energy: -45.002
Base-Backbone interact. energy: -0.302
local terms energy: -62.924941
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -110.737605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.737605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.737605 (E_RNA)
where:
Base-Base interactions energy: -35.751
where: short stacking energy: -31.940
Base-Backbone interact. energy: -0.244
local terms energy: -74.742844
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -2.728
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: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -107.464614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.464614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.464614 (E_RNA)
where:
Base-Base interactions energy: -45.244
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.204
local terms energy: -62.016261
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -299.421753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.421753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.421753 (E_RNA)
where:
Base-Base interactions energy: -198.950
where: short stacking energy: -95.319
Base-Backbone interact. energy: 0.015
local terms energy: -100.487187
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -292.625806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.625806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.625806 (E_RNA)
where:
Base-Base interactions energy: -196.117
where: short stacking energy: -88.551
Base-Backbone interact. energy: -1.488
local terms energy: -95.020524
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -310.496708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.496708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.496708 (E_RNA)
where:
Base-Base interactions energy: -219.308
where: short stacking energy: -82.850
Base-Backbone interact. energy: -0.288
local terms energy: -90.900879
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -281.466751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.466751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.466751 (E_RNA)
where:
Base-Base interactions energy: -190.567
where: short stacking energy: -84.271
Base-Backbone interact. energy: 0.586
local terms energy: -91.486451
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -15.832
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: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -172.415499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.415499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.415499 (E_RNA)
where:
Base-Base interactions energy: -92.665
where: short stacking energy: -64.562
Base-Backbone interact. energy: -1.046
local terms energy: -78.704078
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -12.324
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: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -119.421453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.421453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.421453 (E_RNA)
where:
Base-Base interactions energy: -41.427
where: short stacking energy: -32.979
Base-Backbone interact. energy: 0.311
local terms energy: -78.306131
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -123.810339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.810339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.810339 (E_RNA)
where:
Base-Base interactions energy: -53.030
where: short stacking energy: -46.971
Base-Backbone interact. energy: -0.263
local terms energy: -70.517243
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -0.910
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: 133
Temperature: 1.250000
Total energy: -120.705304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.705304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.705304 (E_RNA)
where:
Base-Base interactions energy: -56.278
where: short stacking energy: -30.290
Base-Backbone interact. energy: -0.004
local terms energy: -64.424070
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: 0.114
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: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -113.945575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.945575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.945575 (E_RNA)
where:
Base-Base interactions energy: -49.643
where: short stacking energy: -32.405
Base-Backbone interact. energy: -0.438
local terms energy: -63.864430
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -113.263883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.263883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.263883 (E_RNA)
where:
Base-Base interactions energy: -48.257
where: short stacking energy: -25.811
Base-Backbone interact. energy: -0.481
local terms energy: -64.525756
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -303.427801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.427801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.427801 (E_RNA)
where:
Base-Base interactions energy: -208.092
where: short stacking energy: -87.146
Base-Backbone interact. energy: -2.926
local terms energy: -92.409913
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -306.749003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.749003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.749003 (E_RNA)
where:
Base-Base interactions energy: -205.457
where: short stacking energy: -98.289
Base-Backbone interact. energy: -0.552
local terms energy: -100.740519
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -289.113573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.113573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.113573 (E_RNA)
where:
Base-Base interactions energy: -193.458
where: short stacking energy: -80.178
Base-Backbone interact. energy: -0.852
local terms energy: -94.803991
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -22.030
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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -300.049405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.049405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.049405 (E_RNA)
where:
Base-Base interactions energy: -194.860
where: short stacking energy: -91.250
Base-Backbone interact. energy: 0.001
local terms energy: -105.191264
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -26.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -169.251791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.251791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.251791 (E_RNA)
where:
Base-Base interactions energy: -85.771
where: short stacking energy: -56.025
Base-Backbone interact. energy: -1.013
local terms energy: -82.468419
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -14.171
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: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -135.226319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.226319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.226319 (E_RNA)
where:
Base-Base interactions energy: -57.735
where: short stacking energy: -42.048
Base-Backbone interact. energy: -0.348
local terms energy: -77.143724
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -162.099053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.099053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.099053 (E_RNA)
where:
Base-Base interactions energy: -83.467
where: short stacking energy: -47.136
Base-Backbone interact. energy: -1.368
local terms energy: -77.263892
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -8.459
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: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -127.196044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.196044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.196044 (E_RNA)
where:
Base-Base interactions energy: -58.289
where: short stacking energy: -50.294
Base-Backbone interact. energy: -0.781
local terms energy: -68.126035
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -111.319448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.319448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.319448 (E_RNA)
where:
Base-Base interactions energy: -46.946
where: short stacking energy: -29.054
Base-Backbone interact. energy: -0.379
local terms energy: -63.995208
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -1.372
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: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -107.147457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.147457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.147457 (E_RNA)
where:
Base-Base interactions energy: -48.759
where: short stacking energy: -41.204
Base-Backbone interact. energy: -0.839
local terms energy: -57.549821
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -6.405
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: 135
Temperature: 0.900000
Total energy: -300.278992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.278992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.278992 (E_RNA)
where:
Base-Base interactions energy: -197.181
where: short stacking energy: -90.270
Base-Backbone interact. energy: -0.148
local terms energy: -102.950038
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -24.509
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: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -277.349712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.349712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.349712 (E_RNA)
where:
Base-Base interactions energy: -184.107
where: short stacking energy: -77.475
Base-Backbone interact. energy: -1.009
local terms energy: -92.233525
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -291.860171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.860171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.860171 (E_RNA)
where:
Base-Base interactions energy: -190.989
where: short stacking energy: -87.799
Base-Backbone interact. energy: -1.061
local terms energy: -99.809697
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -15.016
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: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -284.528105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.528105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.528105 (E_RNA)
where:
Base-Base interactions energy: -188.347
where: short stacking energy: -88.426
Base-Backbone interact. energy: -0.491
local terms energy: -95.689719
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -209.521252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.521252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.521252 (E_RNA)
where:
Base-Base interactions energy: -124.047
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.984
local terms energy: -84.490839
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -143.273860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.273860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.273860 (E_RNA)
where:
Base-Base interactions energy: -68.524
where: short stacking energy: -41.913
Base-Backbone interact. energy: -0.039
local terms energy: -74.710965
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -3.691
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: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -115.612701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.612701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.612701 (E_RNA)
where:
Base-Base interactions energy: -40.656
where: short stacking energy: -40.656
Base-Backbone interact. energy: -0.044
local terms energy: -74.912674
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -114.215378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.215378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.215378 (E_RNA)
where:
Base-Base interactions energy: -39.312
where: short stacking energy: -36.607
Base-Backbone interact. energy: -0.123
local terms energy: -74.779871
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -106.453367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.453367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.453367 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -37.273
Base-Backbone interact. energy: -1.889
local terms energy: -65.594913
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -111.302055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.302055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.302055 (E_RNA)
where:
Base-Base interactions energy: -41.511
where: short stacking energy: -39.501
Base-Backbone interact. energy: -0.143
local terms energy: -69.648039
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -16.849
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: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -303.266251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.266251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.266251 (E_RNA)
where:
Base-Base interactions energy: -201.218
where: short stacking energy: -89.839
Base-Backbone interact. energy: 1.332
local terms energy: -103.380534
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -27.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -278.258476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.258476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.258476 (E_RNA)
where:
Base-Base interactions energy: -189.327
where: short stacking energy: -74.602
Base-Backbone interact. energy: 0.410
local terms energy: -89.341347
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -294.335762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.335762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.335762 (E_RNA)
where:
Base-Base interactions energy: -196.623
where: short stacking energy: -87.120
Base-Backbone interact. energy: 0.077
local terms energy: -97.789452
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -284.270393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.270393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.270393 (E_RNA)
where:
Base-Base interactions energy: -189.411
where: short stacking energy: -85.705
Base-Backbone interact. energy: -0.194
local terms energy: -94.666307
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -15.200
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: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -207.656149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.656149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.656149 (E_RNA)
where:
Base-Base interactions energy: -119.321
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.486
local terms energy: -87.849620
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -131.017374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.017374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.017374 (E_RNA)
where:
Base-Base interactions energy: -53.711
where: short stacking energy: -50.211
Base-Backbone interact. energy: -0.313
local terms energy: -76.992729
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -9.580
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: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -145.189820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.189820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.189820 (E_RNA)
where:
Base-Base interactions energy: -73.720
where: short stacking energy: -40.757
Base-Backbone interact. energy: -0.071
local terms energy: -71.399136
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -119.746244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.746244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.746244 (E_RNA)
where:
Base-Base interactions energy: -53.543
where: short stacking energy: -38.002
Base-Backbone interact. energy: 0.197
local terms energy: -66.400369
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -11.062
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: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -103.443523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.443523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.443523 (E_RNA)
where:
Base-Base interactions energy: -31.620
where: short stacking energy: -30.818
Base-Backbone interact. energy: -1.409
local terms energy: -70.415334
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -89.101928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.101928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.101928 (E_RNA)
where:
Base-Base interactions energy: -22.379
where: short stacking energy: -17.993
Base-Backbone interact. energy: -0.437
local terms energy: -66.286391
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -303.337497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.337497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.337497 (E_RNA)
where:
Base-Base interactions energy: -203.808
where: short stacking energy: -90.220
Base-Backbone interact. energy: -0.588
local terms energy: -98.941132
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -26.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -303.601977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.601977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.601977 (E_RNA)
where:
Base-Base interactions energy: -204.779
where: short stacking energy: -84.179
Base-Backbone interact. energy: -0.201
local terms energy: -98.621056
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -13.568
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: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -275.717187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.717187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.717187 (E_RNA)
where:
Base-Base interactions energy: -193.856
where: short stacking energy: -84.065
Base-Backbone interact. energy: 2.941
local terms energy: -84.801726
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -272.025937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.025937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.025937 (E_RNA)
where:
Base-Base interactions energy: -174.186
where: short stacking energy: -77.169
Base-Backbone interact. energy: -0.323
local terms energy: -97.516099
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -14.824
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: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -222.544363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.544363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.544363 (E_RNA)
where:
Base-Base interactions energy: -138.615
where: short stacking energy: -67.511
Base-Backbone interact. energy: -0.162
local terms energy: -83.767849
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -16.823
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: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -166.766292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.766292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.766292 (E_RNA)
where:
Base-Base interactions energy: -98.385
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.175
local terms energy: -68.206807
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -7.719
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: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -115.501789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.501789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.501789 (E_RNA)
where:
Base-Base interactions energy: -49.995
where: short stacking energy: -48.277
Base-Backbone interact. energy: -0.238
local terms energy: -65.268717
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -116.311281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.311281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.311281 (E_RNA)
where:
Base-Base interactions energy: -39.506
where: short stacking energy: -39.480
Base-Backbone interact. energy: 0.066
local terms energy: -76.871510
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -115.438876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.438876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.438876 (E_RNA)
where:
Base-Base interactions energy: -48.242
where: short stacking energy: -46.306
Base-Backbone interact. energy: -0.111
local terms energy: -67.085075
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -153.089385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.089385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.089385 (E_RNA)
where:
Base-Base interactions energy: -90.307
where: short stacking energy: -60.718
Base-Backbone interact. energy: 0.492
local terms energy: -63.274442
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: 0.338
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -316.705466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.705466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.705466 (E_RNA)
where:
Base-Base interactions energy: -209.222
where: short stacking energy: -98.625
Base-Backbone interact. energy: -0.205
local terms energy: -107.277665
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -25.636
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: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -299.795200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.795200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.795200 (E_RNA)
where:
Base-Base interactions energy: -194.735
where: short stacking energy: -83.329
Base-Backbone interact. energy: -0.481
local terms energy: -104.578789
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -26.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -280.533356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.533356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.533356 (E_RNA)
where:
Base-Base interactions energy: -186.245
where: short stacking energy: -90.709
Base-Backbone interact. energy: 0.566
local terms energy: -94.855032
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -20.970
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: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -277.608562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.608562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.608562 (E_RNA)
where:
Base-Base interactions energy: -184.226
where: short stacking energy: -81.524
Base-Backbone interact. energy: 0.292
local terms energy: -93.673896
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -18.189
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: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -182.736279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.736279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.736279 (E_RNA)
where:
Base-Base interactions energy: -100.300
where: short stacking energy: -64.571
Base-Backbone interact. energy: -0.830
local terms energy: -81.606845
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -220.818194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.818194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.818194 (E_RNA)
where:
Base-Base interactions energy: -130.347
where: short stacking energy: -65.556
Base-Backbone interact. energy: -0.322
local terms energy: -90.149345
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -116.839664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.839664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.839664 (E_RNA)
where:
Base-Base interactions energy: -52.288
where: short stacking energy: -36.277
Base-Backbone interact. energy: -0.473
local terms energy: -64.078643
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -5.300
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: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -120.487851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.487851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.487851 (E_RNA)
where:
Base-Base interactions energy: -59.530
where: short stacking energy: -46.033
Base-Backbone interact. energy: 0.862
local terms energy: -61.820557
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -105.667107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.667107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.667107 (E_RNA)
where:
Base-Base interactions energy: -40.786
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.220
local terms energy: -64.660937
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: 1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -103.991710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.991710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.991710 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -34.180
Base-Backbone interact. energy: -1.212
local terms energy: -67.317504
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -3.274
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: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -314.384507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.384507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.384507 (E_RNA)
where:
Base-Base interactions energy: -207.029
where: short stacking energy: -96.291
Base-Backbone interact. energy: -1.823
local terms energy: -105.532177
where:
bonds (distance) C4'-P energy: -22.909
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -26.690
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: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -302.011644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.011644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.011644 (E_RNA)
where:
Base-Base interactions energy: -203.469
where: short stacking energy: -81.868
Base-Backbone interact. energy: -0.231
local terms energy: -98.311869
where:
bonds (distance) C4'-P energy: -20.424
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -268.712991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.712991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.712991 (E_RNA)
where:
Base-Base interactions energy: -172.334
where: short stacking energy: -70.410
Base-Backbone interact. energy: 1.018
local terms energy: -97.397565
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -14.842
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: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -270.291244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.291244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.291244 (E_RNA)
where:
Base-Base interactions energy: -174.918
where: short stacking energy: -69.062
Base-Backbone interact. energy: -1.728
local terms energy: -93.644891
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -13.927
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: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -177.049739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.049739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.049739 (E_RNA)
where:
Base-Base interactions energy: -98.752
where: short stacking energy: -65.258
Base-Backbone interact. energy: 0.326
local terms energy: -78.624291
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -11.258
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: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -200.160623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.160623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.160623 (E_RNA)
where:
Base-Base interactions energy: -124.579
where: short stacking energy: -47.733
Base-Backbone interact. energy: -0.291
local terms energy: -75.290615
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: 0.351
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: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -117.610251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.610251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.610251 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -31.533
Base-Backbone interact. energy: -0.641
local terms energy: -79.861150
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -112.994560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.994560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.994560 (E_RNA)
where:
Base-Base interactions energy: -54.663
where: short stacking energy: -41.975
Base-Backbone interact. energy: -0.174
local terms energy: -58.157843
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -4.831
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: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -115.950972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.950972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.950972 (E_RNA)
where:
Base-Base interactions energy: -37.327
where: short stacking energy: -37.326
Base-Backbone interact. energy: 1.817
local terms energy: -80.440699
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -9.159
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: 139
Temperature: 1.350000
Total energy: -98.970809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.970809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.970809 (E_RNA)
where:
Base-Base interactions energy: -39.115
where: short stacking energy: -23.899
Base-Backbone interact. energy: -0.119
local terms energy: -59.737397
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -7.655
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: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -313.843581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.843581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.843581 (E_RNA)
where:
Base-Base interactions energy: -209.571
where: short stacking energy: -91.324
Base-Backbone interact. energy: -0.323
local terms energy: -103.949351
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -26.954
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: 140
Temperature: 0.950000
Total energy: -283.356539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.356539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.356539 (E_RNA)
where:
Base-Base interactions energy: -191.790
where: short stacking energy: -84.026
Base-Backbone interact. energy: -0.708
local terms energy: -90.858478
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -289.740603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.740603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.740603 (E_RNA)
where:
Base-Base interactions energy: -197.035
where: short stacking energy: -82.715
Base-Backbone interact. energy: -0.190
local terms energy: -92.515506
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -12.912
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: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -274.596758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.596758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.596758 (E_RNA)
where:
Base-Base interactions energy: -175.355
where: short stacking energy: -82.875
Base-Backbone interact. energy: -0.720
local terms energy: -98.520977
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -201.213881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.213881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.213881 (E_RNA)
where:
Base-Base interactions energy: -122.781
where: short stacking energy: -54.463
Base-Backbone interact. energy: -1.810
local terms energy: -76.623391
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -190.380270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.380270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.380270 (E_RNA)
where:
Base-Base interactions energy: -116.224
where: short stacking energy: -70.939
Base-Backbone interact. energy: -0.108
local terms energy: -74.048997
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -11.388
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: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -143.727452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.727452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.727452 (E_RNA)
where:
Base-Base interactions energy: -64.535
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.300
local terms energy: -78.892279
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -111.410656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.410656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.410656 (E_RNA)
where:
Base-Base interactions energy: -39.172
where: short stacking energy: -34.266
Base-Backbone interact. energy: -0.309
local terms energy: -71.928946
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -3.826
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: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -110.381986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.381986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.381986 (E_RNA)
where:
Base-Base interactions energy: -42.977
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.311
local terms energy: -67.093283
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -98.437913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.437913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.437913 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.419
local terms energy: -63.356117
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -326.733516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.733516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.733516 (E_RNA)
where:
Base-Base interactions energy: -215.503
where: short stacking energy: -95.801
Base-Backbone interact. energy: -0.996
local terms energy: -110.233876
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -30.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -265.864713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.864713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.864713 (E_RNA)
where:
Base-Base interactions energy: -170.757
where: short stacking energy: -73.423
Base-Backbone interact. energy: -0.686
local terms energy: -94.421571
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -277.339619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.339619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.339619 (E_RNA)
where:
Base-Base interactions energy: -181.952
where: short stacking energy: -76.022
Base-Backbone interact. energy: -1.116
local terms energy: -94.271751
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -227.850119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.850119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.850119 (E_RNA)
where:
Base-Base interactions energy: -136.295
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.099
local terms energy: -91.455565
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -13.782
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: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -269.033052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.033052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.033052 (E_RNA)
where:
Base-Base interactions energy: -182.131
where: short stacking energy: -87.167
Base-Backbone interact. energy: 1.074
local terms energy: -87.976420
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -175.577601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.577601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.577601 (E_RNA)
where:
Base-Base interactions energy: -83.816
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.007
local terms energy: -91.753981
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -173.718656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.718656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.718656 (E_RNA)
where:
Base-Base interactions energy: -95.190
where: short stacking energy: -47.849
Base-Backbone interact. energy: -0.509
local terms energy: -78.019004
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -114.883629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.883629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.883629 (E_RNA)
where:
Base-Base interactions energy: -40.269
where: short stacking energy: -36.623
Base-Backbone interact. energy: -0.108
local terms energy: -74.506122
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -13.811
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: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -111.397671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.397671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.397671 (E_RNA)
where:
Base-Base interactions energy: -50.087
where: short stacking energy: -45.826
Base-Backbone interact. energy: 0.863
local terms energy: -62.173658
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: 0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -100.239703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.239703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.239703 (E_RNA)
where:
Base-Base interactions energy: -36.333
where: short stacking energy: -34.087
Base-Backbone interact. energy: -1.331
local terms energy: -62.575022
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -2.698
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: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -313.211766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.211766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.211766 (E_RNA)
where:
Base-Base interactions energy: -215.707
where: short stacking energy: -90.649
Base-Backbone interact. energy: -0.330
local terms energy: -97.174674
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -23.077
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: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -289.609011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.609011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.609011 (E_RNA)
where:
Base-Base interactions energy: -192.135
where: short stacking energy: -80.369
Base-Backbone interact. energy: -1.726
local terms energy: -95.748594
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -296.194533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.194533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.194533 (E_RNA)
where:
Base-Base interactions energy: -199.061
where: short stacking energy: -87.279
Base-Backbone interact. energy: 1.420
local terms energy: -98.554031
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -26.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -215.906046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.906046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.906046 (E_RNA)
where:
Base-Base interactions energy: -123.449
where: short stacking energy: -66.785
Base-Backbone interact. energy: -0.197
local terms energy: -92.259270
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -16.484
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: 142
Temperature: 1.100000
Total energy: -275.012530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.012530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.012530 (E_RNA)
where:
Base-Base interactions energy: -175.783
where: short stacking energy: -83.492
Base-Backbone interact. energy: 0.022
local terms energy: -99.251622
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -154.308764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.308764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.308764 (E_RNA)
where:
Base-Base interactions energy: -75.193
where: short stacking energy: -45.305
Base-Backbone interact. energy: -0.106
local terms energy: -79.009830
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -10.022
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: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -125.002112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.002112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.002112 (E_RNA)
where:
Base-Base interactions energy: -54.537
where: short stacking energy: -52.360
Base-Backbone interact. energy: -0.727
local terms energy: -69.738285
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -7.594
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: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -152.872176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.872176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.872176 (E_RNA)
where:
Base-Base interactions energy: -85.288
where: short stacking energy: -54.088
Base-Backbone interact. energy: 0.260
local terms energy: -67.845038
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -10.779
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: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -122.548185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.548185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.548185 (E_RNA)
where:
Base-Base interactions energy: -61.265
where: short stacking energy: -39.000
Base-Backbone interact. energy: -0.582
local terms energy: -60.700671
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -98.661234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.661234 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -39.392
Base-Backbone interact. energy: 0.232
local terms energy: -56.158615
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -315.439569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.439569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.439569 (E_RNA)
where:
Base-Base interactions energy: -208.378
where: short stacking energy: -93.556
Base-Backbone interact. energy: -0.226
local terms energy: -106.835415
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -298.152217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.152217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.152217 (E_RNA)
where:
Base-Base interactions energy: -192.205
where: short stacking energy: -90.686
Base-Backbone interact. energy: -0.606
local terms energy: -105.341319
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -23.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -294.282552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.282552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.282552 (E_RNA)
where:
Base-Base interactions energy: -189.728
where: short stacking energy: -82.172
Base-Backbone interact. energy: -0.672
local terms energy: -103.882867
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -16.254
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: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -281.362249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.362249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.362249 (E_RNA)
where:
Base-Base interactions energy: -188.760
where: short stacking energy: -85.553
Base-Backbone interact. energy: -0.375
local terms energy: -92.227341
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -13.785
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: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -229.598273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.598273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.598273 (E_RNA)
where:
Base-Base interactions energy: -134.869
where: short stacking energy: -77.547
Base-Backbone interact. energy: -0.222
local terms energy: -94.507275
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -18.207
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: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -129.257117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.257117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.257117 (E_RNA)
where:
Base-Base interactions energy: -46.554
where: short stacking energy: -45.232
Base-Backbone interact. energy: -0.558
local terms energy: -82.145487
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -9.418
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: 143
Temperature: 1.200000
Total energy: -128.317735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.317735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.317735 (E_RNA)
where:
Base-Base interactions energy: -53.605
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.018
local terms energy: -74.694923
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -138.710255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.710255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.710255 (E_RNA)
where:
Base-Base interactions energy: -69.081
where: short stacking energy: -34.790
Base-Backbone interact. energy: -0.855
local terms energy: -68.774177
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -8.665
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: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -105.072899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.072899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.072899 (E_RNA)
where:
Base-Base interactions energy: -42.906
where: short stacking energy: -40.726
Base-Backbone interact. energy: -0.355
local terms energy: -61.811468
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -115.652335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.652335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.652335 (E_RNA)
where:
Base-Base interactions energy: -58.026
where: short stacking energy: -32.481
Base-Backbone interact. energy: 1.098
local terms energy: -58.724516
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -323.273003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.273003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.273003 (E_RNA)
where:
Base-Base interactions energy: -211.360
where: short stacking energy: -99.643
Base-Backbone interact. energy: -0.148
local terms energy: -111.765479
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -30.001
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: 144
Temperature: 0.950000
Total energy: -305.231792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.231792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.231792 (E_RNA)
where:
Base-Base interactions energy: -205.030
where: short stacking energy: -93.402
Base-Backbone interact. energy: -0.507
local terms energy: -99.695005
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -21.157
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: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -300.269446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.269446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.269446 (E_RNA)
where:
Base-Base interactions energy: -200.346
where: short stacking energy: -92.230
Base-Backbone interact. energy: 0.470
local terms energy: -100.393125
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -12.370
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: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -273.800533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.800533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.800533 (E_RNA)
where:
Base-Base interactions energy: -185.104
where: short stacking energy: -80.465
Base-Backbone interact. energy: 1.201
local terms energy: -89.897222
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -11.375
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: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -237.475881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.475881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.475881 (E_RNA)
where:
Base-Base interactions energy: -149.648
where: short stacking energy: -73.555
Base-Backbone interact. energy: -0.336
local terms energy: -87.492409
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -8.615
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: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -140.566840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.566840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.566840 (E_RNA)
where:
Base-Base interactions energy: -70.430
where: short stacking energy: -59.463
Base-Backbone interact. energy: -0.231
local terms energy: -69.905860
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -155.261308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.261308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.261308 (E_RNA)
where:
Base-Base interactions energy: -80.115
where: short stacking energy: -41.009
Base-Backbone interact. energy: 0.243
local terms energy: -75.388662
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -128.723989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.723989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.723989 (E_RNA)
where:
Base-Base interactions energy: -61.644
where: short stacking energy: -44.742
Base-Backbone interact. energy: -0.302
local terms energy: -66.778632
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -122.024885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.024885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.024885 (E_RNA)
where:
Base-Base interactions energy: -41.901
where: short stacking energy: -39.692
Base-Backbone interact. energy: -0.134
local terms energy: -79.990446
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -113.529238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.529238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.529238 (E_RNA)
where:
Base-Base interactions energy: -41.216
where: short stacking energy: -23.416
Base-Backbone interact. energy: 0.785
local terms energy: -73.098111
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -315.506296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.506296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.506296 (E_RNA)
where:
Base-Base interactions energy: -212.899
where: short stacking energy: -85.342
Base-Backbone interact. energy: -0.149
local terms energy: -102.457688
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -21.663
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: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -297.637580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.637580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.637580 (E_RNA)
where:
Base-Base interactions energy: -196.572
where: short stacking energy: -92.478
Base-Backbone interact. energy: 0.179
local terms energy: -101.244460
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -19.440
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: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -302.069376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.069376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.069376 (E_RNA)
where:
Base-Base interactions energy: -199.132
where: short stacking energy: -85.453
Base-Backbone interact. energy: -2.163
local terms energy: -100.774535
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -262.716551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.716551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.716551 (E_RNA)
where:
Base-Base interactions energy: -164.484
where: short stacking energy: -67.949
Base-Backbone interact. energy: -0.392
local terms energy: -97.840276
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -23.972
flat angles P-C4'-P energy: -14.611
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: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -223.131475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.131475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.131475 (E_RNA)
where:
Base-Base interactions energy: -131.737
where: short stacking energy: -69.614
Base-Backbone interact. energy: -0.061
local terms energy: -91.333398
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -181.092310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.092310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.092310 (E_RNA)
where:
Base-Base interactions energy: -109.279
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.245
local terms energy: -71.567569
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -3.932
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: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -122.646748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.646748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.646748 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -34.154
Base-Backbone interact. energy: -0.235
local terms energy: -78.655459
where:
bonds (distance) C4'-P energy: -25.331
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -114.780462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.780462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.780462 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -37.458
Base-Backbone interact. energy: 0.294
local terms energy: -69.411754
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -7.147
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: 145
Temperature: 1.300000
Total energy: -103.621580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.621580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.621580 (E_RNA)
where:
Base-Base interactions energy: -39.535
where: short stacking energy: -37.101
Base-Backbone interact. energy: -0.395
local terms energy: -63.692105
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -103.199413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.199413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.199413 (E_RNA)
where:
Base-Base interactions energy: -33.726
where: short stacking energy: -25.714
Base-Backbone interact. energy: -1.992
local terms energy: -67.481290
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -0.262
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: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -314.208922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.208922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.208922 (E_RNA)
where:
Base-Base interactions energy: -203.844
where: short stacking energy: -102.800
Base-Backbone interact. energy: -0.441
local terms energy: -109.923195
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -30.119
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: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -297.782069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.782069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.782069 (E_RNA)
where:
Base-Base interactions energy: -200.236
where: short stacking energy: -97.225
Base-Backbone interact. energy: 0.312
local terms energy: -97.858338
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -17.809
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: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -292.116436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.116436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.116436 (E_RNA)
where:
Base-Base interactions energy: -205.865
where: short stacking energy: -79.262
Base-Backbone interact. energy: -0.703
local terms energy: -85.548629
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -17.679
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: 146
Temperature: 1.050000
Total energy: -275.642295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.642295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.642295 (E_RNA)
where:
Base-Base interactions energy: -175.689
where: short stacking energy: -87.598
Base-Backbone interact. energy: -0.340
local terms energy: -99.613546
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -28.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -185.886645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.886645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.886645 (E_RNA)
where:
Base-Base interactions energy: -105.456
where: short stacking energy: -51.431
Base-Backbone interact. energy: -0.354
local terms energy: -80.076843
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -164.914461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914461 (E_RNA)
where:
Base-Base interactions energy: -85.838
where: short stacking energy: -50.245
Base-Backbone interact. energy: -0.734
local terms energy: -78.341792
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -129.149900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.149900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.149900 (E_RNA)
where:
Base-Base interactions energy: -63.015
where: short stacking energy: -32.973
Base-Backbone interact. energy: -0.964
local terms energy: -65.171555
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -12.218
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: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -155.550846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.550846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.550846 (E_RNA)
where:
Base-Base interactions energy: -100.464
where: short stacking energy: -43.447
Base-Backbone interact. energy: -0.396
local terms energy: -54.691456
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -122.924202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.924202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.924202 (E_RNA)
where:
Base-Base interactions energy: -45.398
where: short stacking energy: -41.696
Base-Backbone interact. energy: -0.278
local terms energy: -77.249008
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -14.887
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: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -93.079180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.079180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.079180 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -35.197
Base-Backbone interact. energy: 2.961
local terms energy: -56.232730
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -7.041
flat angles P-C4'-P energy: -11.277
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: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -317.966375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.966375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.966375 (E_RNA)
where:
Base-Base interactions energy: -209.803
where: short stacking energy: -94.101
Base-Backbone interact. energy: -0.433
local terms energy: -107.730567
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -298.999199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.999199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.999199 (E_RNA)
where:
Base-Base interactions energy: -197.154
where: short stacking energy: -86.957
Base-Backbone interact. energy: -0.673
local terms energy: -101.172410
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -292.027099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.027099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.027099 (E_RNA)
where:
Base-Base interactions energy: -192.825
where: short stacking energy: -88.404
Base-Backbone interact. energy: -0.016
local terms energy: -99.186187
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -24.644
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: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -272.444461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.444461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.444461 (E_RNA)
where:
Base-Base interactions energy: -173.568
where: short stacking energy: -81.430
Base-Backbone interact. energy: -0.690
local terms energy: -98.186816
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -22.888
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: 147
Temperature: 1.100000
Total energy: -157.838062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.838062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.838062 (E_RNA)
where:
Base-Base interactions energy: -75.932
where: short stacking energy: -44.653
Base-Backbone interact. energy: 0.044
local terms energy: -81.949752
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -15.899
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: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -150.269710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.269710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.269710 (E_RNA)
where:
Base-Base interactions energy: -65.412
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.583
local terms energy: -84.275146
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -13.999
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: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -121.935285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.935285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.935285 (E_RNA)
where:
Base-Base interactions energy: -48.817
where: short stacking energy: -38.403
Base-Backbone interact. energy: -0.868
local terms energy: -72.250441
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -179.870651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.870651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.870651 (E_RNA)
where:
Base-Base interactions energy: -102.256
where: short stacking energy: -54.351
Base-Backbone interact. energy: -0.546
local terms energy: -77.069081
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -7.543
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: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -134.766982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.766982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.766982 (E_RNA)
where:
Base-Base interactions energy: -67.846
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.131
local terms energy: -66.789946
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -106.768687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.768687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.768687 (E_RNA)
where:
Base-Base interactions energy: -51.641
where: short stacking energy: -33.983
Base-Backbone interact. energy: -0.109
local terms energy: -55.018621
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -315.930916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.930916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.930916 (E_RNA)
where:
Base-Base interactions energy: -204.451
where: short stacking energy: -96.613
Base-Backbone interact. energy: -2.745
local terms energy: -108.734778
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -25.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -304.390729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.390729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.390729 (E_RNA)
where:
Base-Base interactions energy: -204.371
where: short stacking energy: -80.635
Base-Backbone interact. energy: -1.168
local terms energy: -98.852125
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -24.337
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -292.004386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.004386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.004386 (E_RNA)
where:
Base-Base interactions energy: -189.737
where: short stacking energy: -91.204
Base-Backbone interact. energy: -1.922
local terms energy: -100.345430
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -27.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -265.473016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.473016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.473016 (E_RNA)
where:
Base-Base interactions energy: -171.783
where: short stacking energy: -61.651
Base-Backbone interact. energy: 0.166
local terms energy: -93.856293
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -8.395
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: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -158.196924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.196924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.196924 (E_RNA)
where:
Base-Base interactions energy: -86.038
where: short stacking energy: -55.745
Base-Backbone interact. energy: -0.183
local terms energy: -71.975814
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -164.059800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.059800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.059800 (E_RNA)
where:
Base-Base interactions energy: -83.185
where: short stacking energy: -53.189
Base-Backbone interact. energy: -0.565
local terms energy: -80.310210
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -109.970549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.970549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.970549 (E_RNA)
where:
Base-Base interactions energy: -36.963
where: short stacking energy: -34.399
Base-Backbone interact. energy: -1.466
local terms energy: -71.541508
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -7.227
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: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -131.417295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.417295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.417295 (E_RNA)
where:
Base-Base interactions energy: -56.607
where: short stacking energy: -47.111
Base-Backbone interact. energy: -0.551
local terms energy: -74.258923
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -122.625499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.625499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.625499 (E_RNA)
where:
Base-Base interactions energy: -58.118
where: short stacking energy: -37.437
Base-Backbone interact. energy: -0.208
local terms energy: -64.299039
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -98.905732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.905732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.905732 (E_RNA)
where:
Base-Base interactions energy: -31.633
where: short stacking energy: -31.237
Base-Backbone interact. energy: -0.084
local terms energy: -67.188625
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -324.944833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.944833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.944833 (E_RNA)
where:
Base-Base interactions energy: -221.046
where: short stacking energy: -97.083
Base-Backbone interact. energy: -0.415
local terms energy: -103.483326
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -26.488
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: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -311.758177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.758177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.758177 (E_RNA)
where:
Base-Base interactions energy: -213.391
where: short stacking energy: -97.049
Base-Backbone interact. energy: -1.324
local terms energy: -97.043330
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -282.189556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.189556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.189556 (E_RNA)
where:
Base-Base interactions energy: -183.647
where: short stacking energy: -74.710
Base-Backbone interact. energy: -0.845
local terms energy: -97.697686
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -287.768903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.768903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.768903 (E_RNA)
where:
Base-Base interactions energy: -186.119
where: short stacking energy: -73.628
Base-Backbone interact. energy: -1.264
local terms energy: -100.385933
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -150.701689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.701689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.701689 (E_RNA)
where:
Base-Base interactions energy: -63.715
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.214
local terms energy: -86.772130
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -11.560
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: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -158.519362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.519362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.519362 (E_RNA)
where:
Base-Base interactions energy: -82.350
where: short stacking energy: -51.794
Base-Backbone interact. energy: -0.214
local terms energy: -75.955261
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -166.400801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.400801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.400801 (E_RNA)
where:
Base-Base interactions energy: -85.276
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.484
local terms energy: -80.641102
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -15.864
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: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -129.128807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.128807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.128807 (E_RNA)
where:
Base-Base interactions energy: -56.542
where: short stacking energy: -40.721
Base-Backbone interact. energy: 0.555
local terms energy: -73.140950
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -5.685
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: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -110.623583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.623583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.623583 (E_RNA)
where:
Base-Base interactions energy: -46.092
where: short stacking energy: -38.708
Base-Backbone interact. energy: -0.279
local terms energy: -64.253257
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -0.448
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -107.491691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.491691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.491691 (E_RNA)
where:
Base-Base interactions energy: -43.417
where: short stacking energy: -40.485
Base-Backbone interact. energy: 0.680
local terms energy: -64.754967
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -319.483271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.483271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.483271 (E_RNA)
where:
Base-Base interactions energy: -210.734
where: short stacking energy: -95.515
Base-Backbone interact. energy: -0.939
local terms energy: -107.810156
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -25.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -307.312520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.312520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.312520 (E_RNA)
where:
Base-Base interactions energy: -209.556
where: short stacking energy: -89.928
Base-Backbone interact. energy: -2.935
local terms energy: -94.821926
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -292.288952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.288952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.288952 (E_RNA)
where:
Base-Base interactions energy: -194.550
where: short stacking energy: -77.252
Base-Backbone interact. energy: 1.156
local terms energy: -98.894546
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -19.603
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: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -274.313416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.313416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.313416 (E_RNA)
where:
Base-Base interactions energy: -167.824
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.384
local terms energy: -106.105024
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -171.767125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.767125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.767125 (E_RNA)
where:
Base-Base interactions energy: -89.883
where: short stacking energy: -51.605
Base-Backbone interact. energy: -0.006
local terms energy: -81.878071
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -140.664526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.664526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.664526 (E_RNA)
where:
Base-Base interactions energy: -62.704
where: short stacking energy: -47.795
Base-Backbone interact. energy: 1.735
local terms energy: -79.695862
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -164.671214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.671214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.671214 (E_RNA)
where:
Base-Base interactions energy: -87.104
where: short stacking energy: -41.000
Base-Backbone interact. energy: -0.360
local terms energy: -77.207993
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -13.596
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: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -116.522457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.522457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.522457 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -44.170
Base-Backbone interact. energy: -0.190
local terms energy: -72.163043
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -98.280058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.280058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.280058 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -36.039
Base-Backbone interact. energy: 0.638
local terms energy: -61.185839
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -114.655203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.655203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.655203 (E_RNA)
where:
Base-Base interactions energy: -49.181
where: short stacking energy: -37.422
Base-Backbone interact. energy: -0.220
local terms energy: -65.254613
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -325.124591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.124591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.124591 (E_RNA)
where:
Base-Base interactions energy: -213.401
where: short stacking energy: -102.814
Base-Backbone interact. energy: -0.299
local terms energy: -111.424521
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -305.248107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.248107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.248107 (E_RNA)
where:
Base-Base interactions energy: -199.512
where: short stacking energy: -84.352
Base-Backbone interact. energy: -0.758
local terms energy: -104.977811
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -22.063
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -310.425616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.425616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.425616 (E_RNA)
where:
Base-Base interactions energy: -208.256
where: short stacking energy: -94.788
Base-Backbone interact. energy: -0.481
local terms energy: -101.688790
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -297.157875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.157875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.157875 (E_RNA)
where:
Base-Base interactions energy: -192.184
where: short stacking energy: -91.859
Base-Backbone interact. energy: -0.708
local terms energy: -104.266221
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -25.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -161.763099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.763099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.763099 (E_RNA)
where:
Base-Base interactions energy: -79.340
where: short stacking energy: -48.090
Base-Backbone interact. energy: -1.126
local terms energy: -81.296503
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -171.541393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.541393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.541393 (E_RNA)
where:
Base-Base interactions energy: -91.480
where: short stacking energy: -48.871
Base-Backbone interact. energy: -0.261
local terms energy: -79.801176
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -169.095240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.095240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.095240 (E_RNA)
where:
Base-Base interactions energy: -93.494
where: short stacking energy: -50.215
Base-Backbone interact. energy: -0.779
local terms energy: -74.822774
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -105.800319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.800319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.800319 (E_RNA)
where:
Base-Base interactions energy: -46.695
where: short stacking energy: -39.189
Base-Backbone interact. energy: -0.310
local terms energy: -58.794526
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: 0.050
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -105.484838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.484838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.484838 (E_RNA)
where:
Base-Base interactions energy: -45.500
where: short stacking energy: -29.555
Base-Backbone interact. energy: -0.994
local terms energy: -58.991024
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: 4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -102.810428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.810428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.810428 (E_RNA)
where:
Base-Base interactions energy: -40.773
where: short stacking energy: -40.773
Base-Backbone interact. energy: 1.751
local terms energy: -63.788176
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -315.201044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.201044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.201044 (E_RNA)
where:
Base-Base interactions energy: -208.871
where: short stacking energy: -91.861
Base-Backbone interact. energy: -1.960
local terms energy: -104.369470
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -24.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -287.724576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.724576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.724576 (E_RNA)
where:
Base-Base interactions energy: -186.841
where: short stacking energy: -78.866
Base-Backbone interact. energy: 0.578
local terms energy: -101.461345
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -286.689751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.689751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.689751 (E_RNA)
where:
Base-Base interactions energy: -188.992
where: short stacking energy: -89.265
Base-Backbone interact. energy: -1.015
local terms energy: -96.682224
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -24.904
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: 152
Temperature: 1.050000
Total energy: -292.878030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.878030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.878030 (E_RNA)
where:
Base-Base interactions energy: -188.591
where: short stacking energy: -90.993
Base-Backbone interact. energy: -0.859
local terms energy: -103.427995
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -26.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -205.368048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.368048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.368048 (E_RNA)
where:
Base-Base interactions energy: -108.597
where: short stacking energy: -72.790
Base-Backbone interact. energy: -0.178
local terms energy: -96.592481
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -173.250983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.250983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.250983 (E_RNA)
where:
Base-Base interactions energy: -98.155
where: short stacking energy: -66.429
Base-Backbone interact. energy: 1.615
local terms energy: -76.710790
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -14.406
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -181.986779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.986779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.986779 (E_RNA)
where:
Base-Base interactions energy: -102.566
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.362
local terms energy: -79.058474
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -112.315103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.315103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.315103 (E_RNA)
where:
Base-Base interactions energy: -56.785
where: short stacking energy: -39.908
Base-Backbone interact. energy: 1.441
local terms energy: -56.970657
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -125.232327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.232327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.232327 (E_RNA)
where:
Base-Base interactions energy: -50.520
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.144
local terms energy: -74.568261
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -9.440
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: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -105.081766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.081766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.081766 (E_RNA)
where:
Base-Base interactions energy: -38.924
where: short stacking energy: -25.184
Base-Backbone interact. energy: -1.477
local terms energy: -64.680943
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: 1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -327.732311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.732311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.732311 (E_RNA)
where:
Base-Base interactions energy: -217.683
where: short stacking energy: -100.888
Base-Backbone interact. energy: 0.321
local terms energy: -110.370827
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -23.519
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -24.650
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: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -296.226147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.226147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.226147 (E_RNA)
where:
Base-Base interactions energy: -193.153
where: short stacking energy: -92.627
Base-Backbone interact. energy: -0.770
local terms energy: -102.302327
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -25.717
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: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -271.989584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.989584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.989584 (E_RNA)
where:
Base-Base interactions energy: -177.303
where: short stacking energy: -82.171
Base-Backbone interact. energy: -0.601
local terms energy: -94.085889
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -222.632045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.632045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.632045 (E_RNA)
where:
Base-Base interactions energy: -129.876
where: short stacking energy: -87.238
Base-Backbone interact. energy: 3.880
local terms energy: -96.635899
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -17.092
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: 153
Temperature: 1.100000
Total energy: -268.896383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.896383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.896383 (E_RNA)
where:
Base-Base interactions energy: -180.681
where: short stacking energy: -81.941
Base-Backbone interact. energy: -0.191
local terms energy: -88.024277
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -16.123
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: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -200.521049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.521049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.521049 (E_RNA)
where:
Base-Base interactions energy: -109.079
where: short stacking energy: -72.342
Base-Backbone interact. energy: -0.442
local terms energy: -90.999815
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -12.572
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: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -172.295681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.295681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.295681 (E_RNA)
where:
Base-Base interactions energy: -83.193
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.282
local terms energy: -88.821294
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -17.639
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: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -107.861941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.861941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.861941 (E_RNA)
where:
Base-Base interactions energy: -38.011
where: short stacking energy: -38.811
Base-Backbone interact. energy: -0.082
local terms energy: -69.768795
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -9.405
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: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -111.349877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.349877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.349877 (E_RNA)
where:
Base-Base interactions energy: -50.756
where: short stacking energy: -39.177
Base-Backbone interact. energy: -0.108
local terms energy: -60.486290
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -109.510492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.510492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.510492 (E_RNA)
where:
Base-Base interactions energy: -44.507
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.010
local terms energy: -64.993245
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -316.602908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.602908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.602908 (E_RNA)
where:
Base-Base interactions energy: -218.313
where: short stacking energy: -98.797
Base-Backbone interact. energy: -0.943
local terms energy: -97.347284
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -25.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -297.282935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.282935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.282935 (E_RNA)
where:
Base-Base interactions energy: -195.037
where: short stacking energy: -86.394
Base-Backbone interact. energy: -0.027
local terms energy: -102.218763
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -24.479
flat angles P-C4'-P energy: -14.699
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: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -284.203568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.203568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.203568 (E_RNA)
where:
Base-Base interactions energy: -184.822
where: short stacking energy: -85.085
Base-Backbone interact. energy: -0.064
local terms energy: -99.317221
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -14.347
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: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -241.076584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.076584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.076584 (E_RNA)
where:
Base-Base interactions energy: -134.906
where: short stacking energy: -86.190
Base-Backbone interact. energy: -0.564
local terms energy: -105.606211
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -269.974500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.974500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.974500 (E_RNA)
where:
Base-Base interactions energy: -173.625
where: short stacking energy: -72.260
Base-Backbone interact. energy: -0.050
local terms energy: -96.299382
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -15.274
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: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -183.753624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.753624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.753624 (E_RNA)
where:
Base-Base interactions energy: -92.544
where: short stacking energy: -59.311
Base-Backbone interact. energy: -1.130
local terms energy: -90.080212
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.405
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: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -156.269297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.269297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.269297 (E_RNA)
where:
Base-Base interactions energy: -82.395
where: short stacking energy: -52.250
Base-Backbone interact. energy: -0.822
local terms energy: -73.052562
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -123.290170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.290170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.290170 (E_RNA)
where:
Base-Base interactions energy: -54.281
where: short stacking energy: -52.738
Base-Backbone interact. energy: -0.182
local terms energy: -68.826892
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -132.968521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.968521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.968521 (E_RNA)
where:
Base-Base interactions energy: -59.049
where: short stacking energy: -41.208
Base-Backbone interact. energy: -0.332
local terms energy: -73.586878
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -6.236
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: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -116.345180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.345180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.345180 (E_RNA)
where:
Base-Base interactions energy: -56.324
where: short stacking energy: -42.830
Base-Backbone interact. energy: -0.766
local terms energy: -59.254497
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -302.704152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.704152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.704152 (E_RNA)
where:
Base-Base interactions energy: -199.316
where: short stacking energy: -85.686
Base-Backbone interact. energy: -0.553
local terms energy: -102.835537
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -296.213340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.213340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.213340 (E_RNA)
where:
Base-Base interactions energy: -196.382
where: short stacking energy: -92.324
Base-Backbone interact. energy: -1.145
local terms energy: -98.686755
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -296.159051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.159051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.159051 (E_RNA)
where:
Base-Base interactions energy: -194.649
where: short stacking energy: -88.218
Base-Backbone interact. energy: -1.783
local terms energy: -99.727103
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -271.173614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.173614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.173614 (E_RNA)
where:
Base-Base interactions energy: -173.870
where: short stacking energy: -86.804
Base-Backbone interact. energy: -0.039
local terms energy: -97.263921
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -19.676
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: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -209.330124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.330124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.330124 (E_RNA)
where:
Base-Base interactions energy: -122.176
where: short stacking energy: -81.118
Base-Backbone interact. energy: -0.340
local terms energy: -86.813611
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -157.989192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.989192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.989192 (E_RNA)
where:
Base-Base interactions energy: -73.199
where: short stacking energy: -43.092
Base-Backbone interact. energy: -0.492
local terms energy: -84.298387
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -168.963128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.963128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.963128 (E_RNA)
where:
Base-Base interactions energy: -97.228
where: short stacking energy: -59.640
Base-Backbone interact. energy: 0.169
local terms energy: -71.904434
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -8.425
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: 155
Temperature: 1.250000
Total energy: -146.512831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.512831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.512831 (E_RNA)
where:
Base-Base interactions energy: -79.327
where: short stacking energy: -39.669
Base-Backbone interact. energy: 0.312
local terms energy: -67.497558
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -25.037
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -112.866426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.866426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.866426 (E_RNA)
where:
Base-Base interactions energy: -54.506
where: short stacking energy: -35.746
Base-Backbone interact. energy: -0.835
local terms energy: -57.525444
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -3.643
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: 155
Temperature: 1.350000
Total energy: -121.970014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.970014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.970014 (E_RNA)
where:
Base-Base interactions energy: -72.401
where: short stacking energy: -42.162
Base-Backbone interact. energy: 0.836
local terms energy: -50.405210
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -8.017
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -330.925853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.925853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.925853 (E_RNA)
where:
Base-Base interactions energy: -230.030
where: short stacking energy: -99.060
Base-Backbone interact. energy: -0.044
local terms energy: -100.851127
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -24.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -301.281919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.281919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.281919 (E_RNA)
where:
Base-Base interactions energy: -187.170
where: short stacking energy: -86.803
Base-Backbone interact. energy: -1.865
local terms energy: -112.247470
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -27.003
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: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -285.488651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.488651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.488651 (E_RNA)
where:
Base-Base interactions energy: -185.661
where: short stacking energy: -84.275
Base-Backbone interact. energy: -2.666
local terms energy: -97.161620
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -23.109
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: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -286.617407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.617407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.617407 (E_RNA)
where:
Base-Base interactions energy: -191.043
where: short stacking energy: -88.438
Base-Backbone interact. energy: -0.175
local terms energy: -95.399170
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -170.940621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.940621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.940621 (E_RNA)
where:
Base-Base interactions energy: -85.267
where: short stacking energy: -53.931
Base-Backbone interact. energy: -1.093
local terms energy: -84.580480
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -15.984
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: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -213.401450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.401450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.401450 (E_RNA)
where:
Base-Base interactions energy: -117.802
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.183
local terms energy: -95.416927
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -153.760424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.760424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.760424 (E_RNA)
where:
Base-Base interactions energy: -78.804
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.060
local terms energy: -74.897010
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -128.442742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.442742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.442742 (E_RNA)
where:
Base-Base interactions energy: -58.327
where: short stacking energy: -42.225
Base-Backbone interact. energy: -0.218
local terms energy: -69.897347
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -131.442654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.442654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.442654 (E_RNA)
where:
Base-Base interactions energy: -84.167
where: short stacking energy: -39.959
Base-Backbone interact. energy: -0.686
local terms energy: -46.589621
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -1.025
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -95.727330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.727330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.727330 (E_RNA)
where:
Base-Base interactions energy: -48.701
where: short stacking energy: -32.820
Base-Backbone interact. energy: 4.656
local terms energy: -51.682972
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: 9.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -326.605044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.605044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.605044 (E_RNA)
where:
Base-Base interactions energy: -217.784
where: short stacking energy: -92.702
Base-Backbone interact. energy: -0.191
local terms energy: -108.630128
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -25.690
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: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -309.952945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.952945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.952945 (E_RNA)
where:
Base-Base interactions energy: -208.115
where: short stacking energy: -90.691
Base-Backbone interact. energy: -1.327
local terms energy: -100.511521
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -23.526
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: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -290.745093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.745093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.745093 (E_RNA)
where:
Base-Base interactions energy: -197.298
where: short stacking energy: -100.971
Base-Backbone interact. energy: -0.658
local terms energy: -92.789142
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -25.054
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: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -281.333879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.333879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.333879 (E_RNA)
where:
Base-Base interactions energy: -180.890
where: short stacking energy: -87.138
Base-Backbone interact. energy: -0.008
local terms energy: -100.435775
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -22.726
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: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -188.930554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.930554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.930554 (E_RNA)
where:
Base-Base interactions energy: -100.148
where: short stacking energy: -70.146
Base-Backbone interact. energy: 0.076
local terms energy: -88.859206
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -197.345853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.345853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.345853 (E_RNA)
where:
Base-Base interactions energy: -101.878
where: short stacking energy: -52.158
Base-Backbone interact. energy: -0.103
local terms energy: -95.364575
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -125.677380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.677380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.677380 (E_RNA)
where:
Base-Base interactions energy: -50.478
where: short stacking energy: -46.137
Base-Backbone interact. energy: -0.083
local terms energy: -75.116682
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -7.391
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: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -140.092406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.092406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.092406 (E_RNA)
where:
Base-Base interactions energy: -70.837
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.247
local terms energy: -69.008693
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -113.973020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.973020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.973020 (E_RNA)
where:
Base-Base interactions energy: -47.729
where: short stacking energy: -33.615
Base-Backbone interact. energy: -0.174
local terms energy: -66.070319
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -11.700
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: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -103.408940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.408940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.408940 (E_RNA)
where:
Base-Base interactions energy: -45.686
where: short stacking energy: -28.372
Base-Backbone interact. energy: -0.323
local terms energy: -57.399948
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.174
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -329.348896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.348896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.348896 (E_RNA)
where:
Base-Base interactions energy: -228.883
where: short stacking energy: -98.407
Base-Backbone interact. energy: -0.177
local terms energy: -100.289387
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -309.483383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.483383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.483383 (E_RNA)
where:
Base-Base interactions energy: -205.407
where: short stacking energy: -93.043
Base-Backbone interact. energy: -0.367
local terms energy: -103.709352
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -284.045386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.045386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.045386 (E_RNA)
where:
Base-Base interactions energy: -197.184
where: short stacking energy: -83.612
Base-Backbone interact. energy: 1.864
local terms energy: -88.725279
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -286.624156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.624156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.624156 (E_RNA)
where:
Base-Base interactions energy: -186.630
where: short stacking energy: -88.838
Base-Backbone interact. energy: -0.723
local terms energy: -99.271536
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -225.013381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.013381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.013381 (E_RNA)
where:
Base-Base interactions energy: -130.988
where: short stacking energy: -64.033
Base-Backbone interact. energy: -1.384
local terms energy: -92.641409
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -182.588876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.588876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.588876 (E_RNA)
where:
Base-Base interactions energy: -106.718
where: short stacking energy: -47.069
Base-Backbone interact. energy: -2.066
local terms energy: -73.805249
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -160.064995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.064995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.064995 (E_RNA)
where:
Base-Base interactions energy: -79.577
where: short stacking energy: -49.232
Base-Backbone interact. energy: -0.525
local terms energy: -79.962684
where:
bonds (distance) C4'-P energy: -21.571
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -117.936857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.936857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.936857 (E_RNA)
where:
Base-Base interactions energy: -50.114
where: short stacking energy: -15.740
Base-Backbone interact. energy: -1.317
local terms energy: -66.505624
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -118.204362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.204362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.204362 (E_RNA)
where:
Base-Base interactions energy: -50.043
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.089
local terms energy: -68.072337
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -102.636558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.636558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.636558 (E_RNA)
where:
Base-Base interactions energy: -34.355
where: short stacking energy: -31.557
Base-Backbone interact. energy: -0.509
local terms energy: -67.773165
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: 3.584
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: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -319.105956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.105956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.105956 (E_RNA)
where:
Base-Base interactions energy: -216.293
where: short stacking energy: -89.375
Base-Backbone interact. energy: -0.211
local terms energy: -102.601981
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -14.445
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: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -312.157441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.157441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.157441 (E_RNA)
where:
Base-Base interactions energy: -206.337
where: short stacking energy: -90.829
Base-Backbone interact. energy: -0.826
local terms energy: -104.995070
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -23.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -287.308344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.308344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.308344 (E_RNA)
where:
Base-Base interactions energy: -188.074
where: short stacking energy: -86.814
Base-Backbone interact. energy: -0.285
local terms energy: -98.949783
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -21.524
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: 159
Temperature: 1.050000
Total energy: -299.727037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.727037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.727037 (E_RNA)
where:
Base-Base interactions energy: -201.680
where: short stacking energy: -87.059
Base-Backbone interact. energy: -0.603
local terms energy: -97.443598
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -220.838967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.838967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.838967 (E_RNA)
where:
Base-Base interactions energy: -120.240
where: short stacking energy: -74.315
Base-Backbone interact. energy: -1.342
local terms energy: -99.257907
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -21.309
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: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -166.761111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.761111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.761111 (E_RNA)
where:
Base-Base interactions energy: -98.145
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.117
local terms energy: -68.499904
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -161.988407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.988407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.988407 (E_RNA)
where:
Base-Base interactions energy: -100.338
where: short stacking energy: -46.060
Base-Backbone interact. energy: -0.902
local terms energy: -60.748163
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -111.029562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.029562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.029562 (E_RNA)
where:
Base-Base interactions energy: -46.852
where: short stacking energy: -45.231
Base-Backbone interact. energy: -1.056
local terms energy: -63.121574
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -108.252702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.252702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.252702 (E_RNA)
where:
Base-Base interactions energy: -48.643
where: short stacking energy: -36.207
Base-Backbone interact. energy: 2.894
local terms energy: -62.503234
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -101.914345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.914345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.914345 (E_RNA)
where:
Base-Base interactions energy: -33.288
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.530
local terms energy: -68.096025
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -5.860
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: 160
Temperature: 0.900000
Total energy: -312.177166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.177166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.177166 (E_RNA)
where:
Base-Base interactions energy: -206.820
where: short stacking energy: -86.546
Base-Backbone interact. energy: -1.536
local terms energy: -103.821661
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -26.699
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -310.195467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.195467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.195467 (E_RNA)
where:
Base-Base interactions energy: -221.090
where: short stacking energy: -95.499
Base-Backbone interact. energy: -1.224
local terms energy: -87.881836
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -24.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -277.992345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.992345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.992345 (E_RNA)
where:
Base-Base interactions energy: -180.582
where: short stacking energy: -84.366
Base-Backbone interact. energy: -0.097
local terms energy: -97.313030
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -287.200772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.200772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.200772 (E_RNA)
where:
Base-Base interactions energy: -184.322
where: short stacking energy: -92.194
Base-Backbone interact. energy: -0.627
local terms energy: -102.251432
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -14.868
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: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -207.200944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.200944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.200944 (E_RNA)
where:
Base-Base interactions energy: -122.845
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.477
local terms energy: -83.879278
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -11.281
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: 160
Temperature: 1.150000
Total energy: -161.793665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.793665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.793665 (E_RNA)
where:
Base-Base interactions energy: -91.439
where: short stacking energy: -55.677
Base-Backbone interact. energy: -0.345
local terms energy: -70.009330
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -11.083
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: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -169.615653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.615653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.615653 (E_RNA)
where:
Base-Base interactions energy: -100.542
where: short stacking energy: -51.427
Base-Backbone interact. energy: -0.528
local terms energy: -68.545628
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -123.141904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.141904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.141904 (E_RNA)
where:
Base-Base interactions energy: -53.243
where: short stacking energy: -47.196
Base-Backbone interact. energy: -0.423
local terms energy: -69.475850
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -105.679791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.679791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.679791 (E_RNA)
where:
Base-Base interactions energy: -51.512
where: short stacking energy: -36.272
Base-Backbone interact. energy: 1.556
local terms energy: -55.724065
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: 2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -123.574421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.574421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.574421 (E_RNA)
where:
Base-Base interactions energy: -51.305
where: short stacking energy: -32.242
Base-Backbone interact. energy: 0.821
local terms energy: -73.090997
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -313.151133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.151133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.151133 (E_RNA)
where:
Base-Base interactions energy: -224.310
where: short stacking energy: -97.865
Base-Backbone interact. energy: 0.552
local terms energy: -89.393041
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -322.913678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.913678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.913678 (E_RNA)
where:
Base-Base interactions energy: -224.623
where: short stacking energy: -100.940
Base-Backbone interact. energy: -0.147
local terms energy: -98.143880
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -24.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -299.402067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.402067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.402067 (E_RNA)
where:
Base-Base interactions energy: -201.783
where: short stacking energy: -91.349
Base-Backbone interact. energy: -0.258
local terms energy: -97.360973
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -29.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -293.126277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.126277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.126277 (E_RNA)
where:
Base-Base interactions energy: -188.524
where: short stacking energy: -85.288
Base-Backbone interact. energy: -1.947
local terms energy: -102.655186
where:
bonds (distance) C4'-P energy: -25.795
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -25.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -242.444160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.444160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.444160 (E_RNA)
where:
Base-Base interactions energy: -144.139
where: short stacking energy: -83.739
Base-Backbone interact. energy: -0.293
local terms energy: -98.011242
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -22.513
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: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -164.293415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.293415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.293415 (E_RNA)
where:
Base-Base interactions energy: -80.454
where: short stacking energy: -49.042
Base-Backbone interact. energy: -0.260
local terms energy: -83.579224
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -14.541
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: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -149.112493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.112493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.112493 (E_RNA)
where:
Base-Base interactions energy: -82.663
where: short stacking energy: -54.844
Base-Backbone interact. energy: 2.900
local terms energy: -69.348923
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -8.961
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: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -123.343359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.343359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.343359 (E_RNA)
where:
Base-Base interactions energy: -49.942
where: short stacking energy: -46.327
Base-Backbone interact. energy: -0.073
local terms energy: -73.327957
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -7.253
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: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -117.828149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.828149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.828149 (E_RNA)
where:
Base-Base interactions energy: -47.550
where: short stacking energy: -37.631
Base-Backbone interact. energy: -0.183
local terms energy: -70.095425
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -5.780
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: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -99.741650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.741650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.741650 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.629
local terms energy: -59.733497
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: 3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -330.764139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.764139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.764139 (E_RNA)
where:
Base-Base interactions energy: -224.771
where: short stacking energy: -88.263
Base-Backbone interact. energy: -0.715
local terms energy: -105.278429
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -305.247612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.247612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.247612 (E_RNA)
where:
Base-Base interactions energy: -208.255
where: short stacking energy: -88.458
Base-Backbone interact. energy: 1.085
local terms energy: -98.077776
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -306.858875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.858875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.858875 (E_RNA)
where:
Base-Base interactions energy: -205.289
where: short stacking energy: -88.528
Base-Backbone interact. energy: -0.840
local terms energy: -100.729572
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -27.521
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: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -267.296306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.296306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.296306 (E_RNA)
where:
Base-Base interactions energy: -174.488
where: short stacking energy: -76.887
Base-Backbone interact. energy: -2.406
local terms energy: -90.402156
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -13.777
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: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -249.844137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.844137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.844137 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.173
local terms energy: -96.314002
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -168.036946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.036946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.036946 (E_RNA)
where:
Base-Base interactions energy: -86.196
where: short stacking energy: -58.864
Base-Backbone interact. energy: -0.229
local terms energy: -81.611361
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -140.023062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.023062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.023062 (E_RNA)
where:
Base-Base interactions energy: -79.798
where: short stacking energy: -42.589
Base-Backbone interact. energy: 1.259
local terms energy: -61.484264
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -3.515
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: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -109.760657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.760657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.760657 (E_RNA)
where:
Base-Base interactions energy: -47.173
where: short stacking energy: -36.705
Base-Backbone interact. energy: -0.976
local terms energy: -61.611567
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -102.618885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.618885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.618885 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -33.273
Base-Backbone interact. energy: 0.850
local terms energy: -64.203176
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: 2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -102.337403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.337403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.337403 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.568
local terms energy: -65.468789
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -14.299
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: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -326.681989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.681989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.681989 (E_RNA)
where:
Base-Base interactions energy: -229.294
where: short stacking energy: -95.103
Base-Backbone interact. energy: 0.078
local terms energy: -97.465609
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -15.046
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: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -316.061310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.061310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.061310 (E_RNA)
where:
Base-Base interactions energy: -206.534
where: short stacking energy: -95.024
Base-Backbone interact. energy: -0.255
local terms energy: -109.271808
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -28.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -310.945504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.945504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.945504 (E_RNA)
where:
Base-Base interactions energy: -210.356
where: short stacking energy: -86.424
Base-Backbone interact. energy: -0.801
local terms energy: -99.788707
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -300.106334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.106334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.106334 (E_RNA)
where:
Base-Base interactions energy: -196.828
where: short stacking energy: -95.187
Base-Backbone interact. energy: -0.213
local terms energy: -103.065496
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -242.496630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.496630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.496630 (E_RNA)
where:
Base-Base interactions energy: -149.509
where: short stacking energy: -81.055
Base-Backbone interact. energy: -0.251
local terms energy: -92.736794
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -13.966
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: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -191.339555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.339555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.339555 (E_RNA)
where:
Base-Base interactions energy: -114.022
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.960
local terms energy: -76.357217
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -10.045
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: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -144.739618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.739618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.739618 (E_RNA)
where:
Base-Base interactions energy: -68.229
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.023
local terms energy: -76.488221
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -6.556
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: 163
Temperature: 1.250000
Total energy: -102.418141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.418141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.418141 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -35.396
Base-Backbone interact. energy: 0.600
local terms energy: -68.033111
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -106.828090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.828090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.828090 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -37.818
Base-Backbone interact. energy: 0.390
local terms energy: -64.398096
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -1.643
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: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -100.596206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.596206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.596206 (E_RNA)
where:
Base-Base interactions energy: -47.015
where: short stacking energy: -47.015
Base-Backbone interact. energy: 0.869
local terms energy: -54.450366
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -335.366103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.366103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.366103 (E_RNA)
where:
Base-Base interactions energy: -231.562
where: short stacking energy: -98.426
Base-Backbone interact. energy: -0.456
local terms energy: -103.348534
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -321.698997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.698997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.698997 (E_RNA)
where:
Base-Base interactions energy: -209.843
where: short stacking energy: -89.325
Base-Backbone interact. energy: -2.206
local terms energy: -109.649974
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -24.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -302.725001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.725001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.725001 (E_RNA)
where:
Base-Base interactions energy: -202.037
where: short stacking energy: -99.844
Base-Backbone interact. energy: -0.396
local terms energy: -100.292121
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -25.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -293.159890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.159890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.159890 (E_RNA)
where:
Base-Base interactions energy: -192.863
where: short stacking energy: -81.790
Base-Backbone interact. energy: -0.457
local terms energy: -99.839759
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -259.608316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.608316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.608316 (E_RNA)
where:
Base-Base interactions energy: -160.337
where: short stacking energy: -85.758
Base-Backbone interact. energy: -0.540
local terms energy: -98.731798
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -22.396
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: 6, replica: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -196.106269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.106269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.106269 (E_RNA)
where:
Base-Base interactions energy: -112.808
where: short stacking energy: -57.050
Base-Backbone interact. energy: -0.625
local terms energy: -82.673087
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -126.115584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.115584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.115584 (E_RNA)
where:
Base-Base interactions energy: -47.929
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.160
local terms energy: -78.026446
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -113.158280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.158280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.158280 (E_RNA)
where:
Base-Base interactions energy: -54.962
where: short stacking energy: -36.418
Base-Backbone interact. energy: -0.259
local terms energy: -57.937192
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -4.444
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: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -107.974754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.974754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.974754 (E_RNA)
where:
Base-Base interactions energy: -37.832
where: short stacking energy: -32.291
Base-Backbone interact. energy: -0.569
local terms energy: -69.573947
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -13.007
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: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -104.434407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.434407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.434407 (E_RNA)
where:
Base-Base interactions energy: -40.292
where: short stacking energy: -33.497
Base-Backbone interact. energy: -0.061
local terms energy: -64.081593
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -16.484
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: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -330.156993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.156993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.156993 (E_RNA)
where:
Base-Base interactions energy: -225.474
where: short stacking energy: -95.407
Base-Backbone interact. energy: -0.232
local terms energy: -104.450558
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -25.731
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: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -303.968711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.968711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.968711 (E_RNA)
where:
Base-Base interactions energy: -194.574
where: short stacking energy: -92.123
Base-Backbone interact. energy: -0.670
local terms energy: -108.725089
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -316.316072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.316072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.316072 (E_RNA)
where:
Base-Base interactions energy: -217.898
where: short stacking energy: -89.082
Base-Backbone interact. energy: -0.562
local terms energy: -97.856248
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -22.927
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -298.470713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.470713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.470713 (E_RNA)
where:
Base-Base interactions energy: -204.434
where: short stacking energy: -84.319
Base-Backbone interact. energy: -1.971
local terms energy: -92.065914
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -20.753
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: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -278.928791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.928791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.928791 (E_RNA)
where:
Base-Base interactions energy: -191.415
where: short stacking energy: -95.865
Base-Backbone interact. energy: -0.925
local terms energy: -86.588253
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -27.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -197.091360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.091360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.091360 (E_RNA)
where:
Base-Base interactions energy: -119.148
where: short stacking energy: -45.327
Base-Backbone interact. energy: -0.851
local terms energy: -77.092555
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -111.651961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.651961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.651961 (E_RNA)
where:
Base-Base interactions energy: -41.035
where: short stacking energy: -36.731
Base-Backbone interact. energy: -1.002
local terms energy: -69.615072
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -112.394414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.394414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.394414 (E_RNA)
where:
Base-Base interactions energy: -48.500
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.384
local terms energy: -63.510442
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -110.124586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.124586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.124586 (E_RNA)
where:
Base-Base interactions energy: -45.956
where: short stacking energy: -34.516
Base-Backbone interact. energy: 2.667
local terms energy: -66.836111
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -101.238929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.238929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.238929 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -36.497
Base-Backbone interact. energy: -0.151
local terms energy: -64.197660
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -4.609
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: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -330.855967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.855967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.855967 (E_RNA)
where:
Base-Base interactions energy: -221.555
where: short stacking energy: -100.591
Base-Backbone interact. energy: 2.059
local terms energy: -111.359829
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -29.660
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: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -287.653643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.653643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.653643 (E_RNA)
where:
Base-Base interactions energy: -200.811
where: short stacking energy: -97.232
Base-Backbone interact. energy: 1.888
local terms energy: -88.731269
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -14.932
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: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -298.618010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.618010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.618010 (E_RNA)
where:
Base-Base interactions energy: -203.872
where: short stacking energy: -80.453
Base-Backbone interact. energy: -0.482
local terms energy: -94.263894
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -18.231
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: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -303.061174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.061174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.061174 (E_RNA)
where:
Base-Base interactions energy: -203.197
where: short stacking energy: -92.785
Base-Backbone interact. energy: -0.635
local terms energy: -99.229261
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -26.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -282.153685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.153685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.153685 (E_RNA)
where:
Base-Base interactions energy: -177.952
where: short stacking energy: -97.235
Base-Backbone interact. energy: -0.116
local terms energy: -104.085507
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -27.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -179.181633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.181633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.181633 (E_RNA)
where:
Base-Base interactions energy: -89.046
where: short stacking energy: -51.041
Base-Backbone interact. energy: -0.626
local terms energy: -89.509831
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -124.793719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.793719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.793719 (E_RNA)
where:
Base-Base interactions energy: -47.232
where: short stacking energy: -47.232
Base-Backbone interact. energy: -0.556
local terms energy: -77.005190
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -6.758
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: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -117.395093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.395093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.395093 (E_RNA)
where:
Base-Base interactions energy: -52.496
where: short stacking energy: -48.217
Base-Backbone interact. energy: -0.801
local terms energy: -64.098477
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -3.617
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: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -113.532483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.532483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.532483 (E_RNA)
where:
Base-Base interactions energy: -37.020
where: short stacking energy: -36.973
Base-Backbone interact. energy: -1.632
local terms energy: -74.880486
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -97.884843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.884843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.884843 (E_RNA)
where:
Base-Base interactions energy: -35.030
where: short stacking energy: -26.650
Base-Backbone interact. energy: -1.335
local terms energy: -61.519606
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -333.739184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.739184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.739184 (E_RNA)
where:
Base-Base interactions energy: -230.659
where: short stacking energy: -102.794
Base-Backbone interact. energy: -0.750
local terms energy: -102.330631
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -26.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -297.458685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.458685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.458685 (E_RNA)
where:
Base-Base interactions energy: -193.537
where: short stacking energy: -94.080
Base-Backbone interact. energy: -1.035
local terms energy: -102.886370
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -299.624144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.624144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.624144 (E_RNA)
where:
Base-Base interactions energy: -201.573
where: short stacking energy: -83.519
Base-Backbone interact. energy: -0.336
local terms energy: -97.714456
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -292.599370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.599370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.599370 (E_RNA)
where:
Base-Base interactions energy: -189.209
where: short stacking energy: -80.868
Base-Backbone interact. energy: -1.553
local terms energy: -101.837127
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -23.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -266.678956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.678956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.678956 (E_RNA)
where:
Base-Base interactions energy: -171.520
where: short stacking energy: -85.400
Base-Backbone interact. energy: -0.058
local terms energy: -95.101469
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -181.499388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.499388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.499388 (E_RNA)
where:
Base-Base interactions energy: -95.922
where: short stacking energy: -67.593
Base-Backbone interact. energy: -1.158
local terms energy: -84.419382
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -120.775799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.775799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.775799 (E_RNA)
where:
Base-Base interactions energy: -55.112
where: short stacking energy: -39.380
Base-Backbone interact. energy: -0.610
local terms energy: -65.053534
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -111.622152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.622152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.622152 (E_RNA)
where:
Base-Base interactions energy: -34.786
where: short stacking energy: -34.534
Base-Backbone interact. energy: -0.285
local terms energy: -76.551170
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -7.147
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: 167
Temperature: 1.300000
Total energy: -97.198924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.198924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.198924 (E_RNA)
where:
Base-Base interactions energy: -26.807
where: short stacking energy: -26.807
Base-Backbone interact. energy: -0.292
local terms energy: -70.100311
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -14.417
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: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -98.178904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.178904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.178904 (E_RNA)
where:
Base-Base interactions energy: -33.650
where: short stacking energy: -28.001
Base-Backbone interact. energy: -0.460
local terms energy: -64.068992
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: 1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -334.003194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.003194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.003194 (E_RNA)
where:
Base-Base interactions energy: -234.320
where: short stacking energy: -95.380
Base-Backbone interact. energy: -0.515
local terms energy: -99.168104
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -24.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -293.170128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.170128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.170128 (E_RNA)
where:
Base-Base interactions energy: -196.393
where: short stacking energy: -88.807
Base-Backbone interact. energy: -0.050
local terms energy: -96.726881
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -290.807150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.807150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.807150 (E_RNA)
where:
Base-Base interactions energy: -190.603
where: short stacking energy: -73.066
Base-Backbone interact. energy: -0.188
local terms energy: -100.015936
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -278.979214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.979214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.979214 (E_RNA)
where:
Base-Base interactions energy: -179.889
where: short stacking energy: -89.450
Base-Backbone interact. energy: -1.398
local terms energy: -97.691831
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -268.397124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.397124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.397124 (E_RNA)
where:
Base-Base interactions energy: -178.288
where: short stacking energy: -85.617
Base-Backbone interact. energy: -0.921
local terms energy: -89.188783
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -21.738
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: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -141.780396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.780396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.780396 (E_RNA)
where:
Base-Base interactions energy: -77.557
where: short stacking energy: -58.435
Base-Backbone interact. energy: 1.502
local terms energy: -65.725615
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -4.934
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: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -132.064524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.064524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.064524 (E_RNA)
where:
Base-Base interactions energy: -59.505
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.106
local terms energy: -72.453253
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -105.709440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.709440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.709440 (E_RNA)
where:
Base-Base interactions energy: -36.092
where: short stacking energy: -35.410
Base-Backbone interact. energy: 0.939
local terms energy: -70.556391
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -102.370320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.370320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.370320 (E_RNA)
where:
Base-Base interactions energy: -49.932
where: short stacking energy: -27.536
Base-Backbone interact. energy: -0.584
local terms energy: -51.854297
where:
bonds (distance) C4'-P energy: -7.704
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -112.552928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.552928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.552928 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -40.555
Base-Backbone interact. energy: -0.423
local terms energy: -66.466690
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -329.550090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.550090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.550090 (E_RNA)
where:
Base-Base interactions energy: -221.996
where: short stacking energy: -95.802
Base-Backbone interact. energy: 0.634
local terms energy: -108.188684
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -288.155663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.155663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.155663 (E_RNA)
where:
Base-Base interactions energy: -184.855
where: short stacking energy: -87.425
Base-Backbone interact. energy: 1.303
local terms energy: -104.603052
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -292.042953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.042953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.042953 (E_RNA)
where:
Base-Base interactions energy: -200.203
where: short stacking energy: -88.822
Base-Backbone interact. energy: -0.863
local terms energy: -90.976320
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -271.601537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.601537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.601537 (E_RNA)
where:
Base-Base interactions energy: -174.621
where: short stacking energy: -81.826
Base-Backbone interact. energy: -0.117
local terms energy: -96.863341
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -9.721
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: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -232.925768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.925768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.925768 (E_RNA)
where:
Base-Base interactions energy: -141.398
where: short stacking energy: -77.813
Base-Backbone interact. energy: -0.461
local terms energy: -91.067400
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -19.723
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: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -125.768288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.768288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.768288 (E_RNA)
where:
Base-Base interactions energy: -43.722
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.302
local terms energy: -81.743384
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -8.708
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: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -157.313418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.313418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.313418 (E_RNA)
where:
Base-Base interactions energy: -89.352
where: short stacking energy: -47.914
Base-Backbone interact. energy: -0.894
local terms energy: -67.067789
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -115.431112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.431112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.431112 (E_RNA)
where:
Base-Base interactions energy: -47.985
where: short stacking energy: -44.476
Base-Backbone interact. energy: -0.271
local terms energy: -67.175027
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -116.644543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.644543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.644543 (E_RNA)
where:
Base-Base interactions energy: -49.190
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.075
local terms energy: -67.379464
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: 1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -104.650631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.650631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.650631 (E_RNA)
where:
Base-Base interactions energy: -46.245
where: short stacking energy: -32.337
Base-Backbone interact. energy: -0.291
local terms energy: -58.114151
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -1.832
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: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -336.533688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.533688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.533688 (E_RNA)
where:
Base-Base interactions energy: -235.968
where: short stacking energy: -91.684
Base-Backbone interact. energy: -0.303
local terms energy: -100.262406
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -303.265062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.265062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.265062 (E_RNA)
where:
Base-Base interactions energy: -196.555
where: short stacking energy: -94.831
Base-Backbone interact. energy: -0.244
local terms energy: -106.466495
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -24.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -297.022911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.022911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.022911 (E_RNA)
where:
Base-Base interactions energy: -196.361
where: short stacking energy: -76.521
Base-Backbone interact. energy: -0.492
local terms energy: -100.170302
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -246.009556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.009556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.009556 (E_RNA)
where:
Base-Base interactions energy: -151.165
where: short stacking energy: -77.610
Base-Backbone interact. energy: 0.281
local terms energy: -95.125373
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -233.831390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.831390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.831390 (E_RNA)
where:
Base-Base interactions energy: -140.414
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.341
local terms energy: -93.076185
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -22.020
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -12.663
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: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -132.930236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.930236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.930236 (E_RNA)
where:
Base-Base interactions energy: -60.114
where: short stacking energy: -39.932
Base-Backbone interact. energy: -0.900
local terms energy: -71.915988
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -160.862886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.862886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.862886 (E_RNA)
where:
Base-Base interactions energy: -86.995
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.059
local terms energy: -73.808860
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -118.229250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.229250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.229250 (E_RNA)
where:
Base-Base interactions energy: -48.480
where: short stacking energy: -37.504
Base-Backbone interact. energy: -0.409
local terms energy: -69.340696
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -4.792
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: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -148.107246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.107246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.107246 (E_RNA)
where:
Base-Base interactions energy: -68.192
where: short stacking energy: -49.548
Base-Backbone interact. energy: -1.319
local terms energy: -78.596210
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -109.068380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.068380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.068380 (E_RNA)
where:
Base-Base interactions energy: -44.778
where: short stacking energy: -38.988
Base-Backbone interact. energy: 0.583
local terms energy: -64.872944
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -330.920087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.920087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.920087 (E_RNA)
where:
Base-Base interactions energy: -233.650
where: short stacking energy: -90.224
Base-Backbone interact. energy: -0.637
local terms energy: -96.633291
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -299.444763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.444763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.444763 (E_RNA)
where:
Base-Base interactions energy: -196.754
where: short stacking energy: -78.857
Base-Backbone interact. energy: -0.254
local terms energy: -102.436991
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -16.756
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: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -294.202808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.202808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.202808 (E_RNA)
where:
Base-Base interactions energy: -193.863
where: short stacking energy: -92.180
Base-Backbone interact. energy: -0.020
local terms energy: -100.320198
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -24.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -230.364768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.364768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.364768 (E_RNA)
where:
Base-Base interactions energy: -148.970
where: short stacking energy: -73.261
Base-Backbone interact. energy: -0.204
local terms energy: -81.191099
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -14.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -212.914690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.914690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.914690 (E_RNA)
where:
Base-Base interactions energy: -131.554
where: short stacking energy: -73.250
Base-Backbone interact. energy: -0.118
local terms energy: -81.242727
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -8.623
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: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -198.567448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.567448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.567448 (E_RNA)
where:
Base-Base interactions energy: -120.391
where: short stacking energy: -53.802
Base-Backbone interact. energy: -0.221
local terms energy: -77.955469
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -10.908
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: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -125.417025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.417025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.417025 (E_RNA)
where:
Base-Base interactions energy: -50.673
where: short stacking energy: -47.845
Base-Backbone interact. energy: -0.381
local terms energy: -74.363395
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -115.747039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.747039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.747039 (E_RNA)
where:
Base-Base interactions energy: -42.080
where: short stacking energy: -33.066
Base-Backbone interact. energy: -0.274
local terms energy: -73.392777
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -117.731058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.731058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.731058 (E_RNA)
where:
Base-Base interactions energy: -50.879
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.858
local terms energy: -65.994360
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -116.628974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.628974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.628974 (E_RNA)
where:
Base-Base interactions energy: -65.490
where: short stacking energy: -42.250
Base-Backbone interact. energy: -0.232
local terms energy: -50.907174
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -326.069376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.069376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.069376 (E_RNA)
where:
Base-Base interactions energy: -217.389
where: short stacking energy: -91.229
Base-Backbone interact. energy: -0.424
local terms energy: -108.256577
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -29.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -296.016922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.016922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.016922 (E_RNA)
where:
Base-Base interactions energy: -194.182
where: short stacking energy: -81.229
Base-Backbone interact. energy: -0.424
local terms energy: -101.410953
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -294.970566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.970566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.970566 (E_RNA)
where:
Base-Base interactions energy: -193.998
where: short stacking energy: -93.743
Base-Backbone interact. energy: -0.368
local terms energy: -100.604831
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -250.742008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.742008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.742008 (E_RNA)
where:
Base-Base interactions energy: -163.708
where: short stacking energy: -72.304
Base-Backbone interact. energy: -0.852
local terms energy: -86.182188
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -236.112644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.112644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.112644 (E_RNA)
where:
Base-Base interactions energy: -150.427
where: short stacking energy: -80.758
Base-Backbone interact. energy: -1.618
local terms energy: -84.068461
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -215.036809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.036809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.036809 (E_RNA)
where:
Base-Base interactions energy: -130.347
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.169
local terms energy: -84.521421
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -147.240337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.240337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.240337 (E_RNA)
where:
Base-Base interactions energy: -84.963
where: short stacking energy: -48.363
Base-Backbone interact. energy: -2.038
local terms energy: -60.239321
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -8.314
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: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -142.132819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.132819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.132819 (E_RNA)
where:
Base-Base interactions energy: -80.070
where: short stacking energy: -44.589
Base-Backbone interact. energy: -0.271
local terms energy: -61.791920
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -132.259788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.259788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.259788 (E_RNA)
where:
Base-Base interactions energy: -67.375
where: short stacking energy: -39.856
Base-Backbone interact. energy: -0.763
local terms energy: -64.121657
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: 0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -104.223161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.223161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.223161 (E_RNA)
where:
Base-Base interactions energy: -39.647
where: short stacking energy: -37.837
Base-Backbone interact. energy: -0.184
local terms energy: -64.392118
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -3.323
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -320.146560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.146560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.146560 (E_RNA)
where:
Base-Base interactions energy: -215.238
where: short stacking energy: -89.015
Base-Backbone interact. energy: -0.389
local terms energy: -104.519800
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -305.392998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.392998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.392998 (E_RNA)
where:
Base-Base interactions energy: -196.858
where: short stacking energy: -93.250
Base-Backbone interact. energy: -0.912
local terms energy: -107.622719
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -294.666645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.666645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.666645 (E_RNA)
where:
Base-Base interactions energy: -190.809
where: short stacking energy: -86.093
Base-Backbone interact. energy: -0.938
local terms energy: -102.919735
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -241.248206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.248206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.248206 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -82.166
Base-Backbone interact. energy: -0.093
local terms energy: -97.879156
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -255.816411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.816411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.816411 (E_RNA)
where:
Base-Base interactions energy: -164.217
where: short stacking energy: -84.625
Base-Backbone interact. energy: -0.168
local terms energy: -91.431382
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -238.871277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.871277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.871277 (E_RNA)
where:
Base-Base interactions energy: -150.051
where: short stacking energy: -85.579
Base-Backbone interact. energy: -0.011
local terms energy: -88.808862
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -171.123601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.123601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.123601 (E_RNA)
where:
Base-Base interactions energy: -95.195
where: short stacking energy: -46.721
Base-Backbone interact. energy: 4.228
local terms energy: -80.156050
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -10.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -120.289972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.289972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.289972 (E_RNA)
where:
Base-Base interactions energy: -45.934
where: short stacking energy: -27.913
Base-Backbone interact. energy: -0.536
local terms energy: -73.820099
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -138.228716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.228716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.228716 (E_RNA)
where:
Base-Base interactions energy: -64.397
where: short stacking energy: -33.917
Base-Backbone interact. energy: -0.660
local terms energy: -73.171255
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -115.946273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.946273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.946273 (E_RNA)
where:
Base-Base interactions energy: -54.773
where: short stacking energy: -44.045
Base-Backbone interact. energy: 0.898
local terms energy: -62.070529
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -10.664
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: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -292.111199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.111199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.111199 (E_RNA)
where:
Base-Base interactions energy: -192.977
where: short stacking energy: -87.290
Base-Backbone interact. energy: -0.863
local terms energy: -98.271017
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -332.325429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.325429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.325429 (E_RNA)
where:
Base-Base interactions energy: -230.707
where: short stacking energy: -99.889
Base-Backbone interact. energy: -0.149
local terms energy: -101.469026
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -24.659
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -23.769
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: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -291.521997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.521997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.521997 (E_RNA)
where:
Base-Base interactions energy: -196.186
where: short stacking energy: -88.153
Base-Backbone interact. energy: -0.965
local terms energy: -94.370845
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -23.559
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: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -238.657172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.657172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.657172 (E_RNA)
where:
Base-Base interactions energy: -135.440
where: short stacking energy: -67.427
Base-Backbone interact. energy: -0.167
local terms energy: -103.049982
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -23.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -231.466484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.466484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.466484 (E_RNA)
where:
Base-Base interactions energy: -140.627
where: short stacking energy: -77.295
Base-Backbone interact. energy: -0.785
local terms energy: -90.054395
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -22.400
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: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -209.642548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.642548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.642548 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.277
local terms energy: -77.922925
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -149.905824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.905824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.905824 (E_RNA)
where:
Base-Base interactions energy: -65.909
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.002
local terms energy: -83.995647
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -13.663
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: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -117.607472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.607472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.607472 (E_RNA)
where:
Base-Base interactions energy: -46.708
where: short stacking energy: -42.461
Base-Backbone interact. energy: -0.219
local terms energy: -70.680429
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -3.519
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: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -108.838809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.838809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.838809 (E_RNA)
where:
Base-Base interactions energy: -35.289
where: short stacking energy: -29.188
Base-Backbone interact. energy: -0.118
local terms energy: -73.432554
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -113.490561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.490561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.490561 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -36.495
Base-Backbone interact. energy: -0.258
local terms energy: -73.600973
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -311.684533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.684533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.684533 (E_RNA)
where:
Base-Base interactions energy: -203.188
where: short stacking energy: -98.917
Base-Backbone interact. energy: -0.142
local terms energy: -108.353755
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -25.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -312.192378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.192378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.192378 (E_RNA)
where:
Base-Base interactions energy: -215.292
where: short stacking energy: -90.061
Base-Backbone interact. energy: -0.457
local terms energy: -96.442621
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -301.448749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.448749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.448749 (E_RNA)
where:
Base-Base interactions energy: -198.146
where: short stacking energy: -92.565
Base-Backbone interact. energy: -0.549
local terms energy: -102.754354
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -22.231
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: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -243.824909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.824909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.824909 (E_RNA)
where:
Base-Base interactions energy: -151.160
where: short stacking energy: -78.333
Base-Backbone interact. energy: -0.004
local terms energy: -92.660876
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -207.072796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.072796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.072796 (E_RNA)
where:
Base-Base interactions energy: -124.033
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.045
local terms energy: -82.994501
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -154.099121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.099121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.099121 (E_RNA)
where:
Base-Base interactions energy: -84.565
where: short stacking energy: -47.172
Base-Backbone interact. energy: 1.557
local terms energy: -71.091635
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -173.656740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.656740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.656740 (E_RNA)
where:
Base-Base interactions energy: -97.202
where: short stacking energy: -52.351
Base-Backbone interact. energy: -0.064
local terms energy: -76.390525
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -9.972
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: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -111.750825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.750825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.750825 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -39.656
Base-Backbone interact. energy: -0.090
local terms energy: -70.957527
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -109.074162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.074162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.074162 (E_RNA)
where:
Base-Base interactions energy: -40.810
where: short stacking energy: -38.132
Base-Backbone interact. energy: -0.074
local terms energy: -68.190186
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -105.855534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.855534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.855534 (E_RNA)
where:
Base-Base interactions energy: -31.621
where: short stacking energy: -30.515
Base-Backbone interact. energy: -0.058
local terms energy: -74.176187
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -24.780
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -304.716772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.716772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.716772 (E_RNA)
where:
Base-Base interactions energy: -198.459
where: short stacking energy: -92.490
Base-Backbone interact. energy: -1.097
local terms energy: -105.160742
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -28.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -304.246240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.246240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.246240 (E_RNA)
where:
Base-Base interactions energy: -206.379
where: short stacking energy: -91.453
Base-Backbone interact. energy: -1.543
local terms energy: -96.324471
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -24.367
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -21.236
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: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -318.357311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.357311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.357311 (E_RNA)
where:
Base-Base interactions energy: -219.381
where: short stacking energy: -97.134
Base-Backbone interact. energy: 1.707
local terms energy: -100.683298
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -27.408
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: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -248.016713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.016713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.016713 (E_RNA)
where:
Base-Base interactions energy: -160.279
where: short stacking energy: -76.403
Base-Backbone interact. energy: -0.016
local terms energy: -87.721911
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -218.320338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.320338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.320338 (E_RNA)
where:
Base-Base interactions energy: -126.637
where: short stacking energy: -61.084
Base-Backbone interact. energy: 0.638
local terms energy: -92.321691
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -169.365210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.365210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.365210 (E_RNA)
where:
Base-Base interactions energy: -93.541
where: short stacking energy: -47.295
Base-Backbone interact. energy: -0.727
local terms energy: -75.097485
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -23.515
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -229.921728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.921728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.921728 (E_RNA)
where:
Base-Base interactions energy: -150.124
where: short stacking energy: -71.177
Base-Backbone interact. energy: 0.928
local terms energy: -80.726082
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -104.006115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.006115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.006115 (E_RNA)
where:
Base-Base interactions energy: -33.718
where: short stacking energy: -33.718
Base-Backbone interact. energy: -0.873
local terms energy: -69.414425
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -112.958088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.958088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.958088 (E_RNA)
where:
Base-Base interactions energy: -44.628
where: short stacking energy: -40.099
Base-Backbone interact. energy: 0.157
local terms energy: -68.486845
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -13.746
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: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -110.754016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.754016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.754016 (E_RNA)
where:
Base-Base interactions energy: -45.472
where: short stacking energy: -45.472
Base-Backbone interact. energy: 1.276
local terms energy: -66.557592
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -316.341931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.341931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.341931 (E_RNA)
where:
Base-Base interactions energy: -207.356
where: short stacking energy: -100.056
Base-Backbone interact. energy: -0.301
local terms energy: -108.684920
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -26.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -328.122218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.122218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.122218 (E_RNA)
where:
Base-Base interactions energy: -231.123
where: short stacking energy: -105.289
Base-Backbone interact. energy: -1.258
local terms energy: -95.740689
where:
bonds (distance) C4'-P energy: -20.073
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -301.145633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.145633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.145633 (E_RNA)
where:
Base-Base interactions energy: -204.220
where: short stacking energy: -82.706
Base-Backbone interact. energy: -1.316
local terms energy: -95.609677
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -239.656178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.656178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.656178 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -78.667
Base-Backbone interact. energy: -0.033
local terms energy: -98.276938
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -22.553
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -233.510832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.510832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.510832 (E_RNA)
where:
Base-Base interactions energy: -145.669
where: short stacking energy: -73.028
Base-Backbone interact. energy: -0.565
local terms energy: -87.276855
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -256.082648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.082648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.082648 (E_RNA)
where:
Base-Base interactions energy: -167.297
where: short stacking energy: -79.603
Base-Backbone interact. energy: -1.291
local terms energy: -87.494762
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -192.430700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.430700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.430700 (E_RNA)
where:
Base-Base interactions energy: -113.006
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.245
local terms energy: -79.179620
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -120.478180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.478180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.478180 (E_RNA)
where:
Base-Base interactions energy: -54.918
where: short stacking energy: -34.231
Base-Backbone interact. energy: -0.591
local terms energy: -64.969274
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -115.832299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.832299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.832299 (E_RNA)
where:
Base-Base interactions energy: -52.806
where: short stacking energy: -42.588
Base-Backbone interact. energy: -1.501
local terms energy: -61.525464
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -104.081462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.081462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.081462 (E_RNA)
where:
Base-Base interactions energy: -47.053
where: short stacking energy: -33.782
Base-Backbone interact. energy: -0.414
local terms energy: -56.614422
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -10.193
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: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -327.848811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.848811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.848811 (E_RNA)
where:
Base-Base interactions energy: -229.739
where: short stacking energy: -93.306
Base-Backbone interact. energy: -0.957
local terms energy: -97.152589
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -25.938
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: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -297.035399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.035399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.035399 (E_RNA)
where:
Base-Base interactions energy: -201.054
where: short stacking energy: -88.227
Base-Backbone interact. energy: -2.855
local terms energy: -93.126500
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -23.340
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: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -298.547356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.547356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.547356 (E_RNA)
where:
Base-Base interactions energy: -204.072
where: short stacking energy: -89.548
Base-Backbone interact. energy: -0.443
local terms energy: -94.031890
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -244.328700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.328700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.328700 (E_RNA)
where:
Base-Base interactions energy: -156.335
where: short stacking energy: -71.817
Base-Backbone interact. energy: -0.079
local terms energy: -87.914224
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -6.431
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -247.729897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.729897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.729897 (E_RNA)
where:
Base-Base interactions energy: -148.083
where: short stacking energy: -80.854
Base-Backbone interact. energy: -0.026
local terms energy: -99.620011
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -17.357
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: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -224.503124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.503124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.503124 (E_RNA)
where:
Base-Base interactions energy: -142.154
where: short stacking energy: -72.802
Base-Backbone interact. energy: -0.340
local terms energy: -82.008428
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -20.479
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: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -164.324511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.324511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.324511 (E_RNA)
where:
Base-Base interactions energy: -87.212
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.295
local terms energy: -76.818085
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -10.443
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: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -127.548590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.548590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.548590 (E_RNA)
where:
Base-Base interactions energy: -67.246
where: short stacking energy: -44.452
Base-Backbone interact. energy: 1.105
local terms energy: -61.407405
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -107.517338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.517338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.517338 (E_RNA)
where:
Base-Base interactions energy: -44.074
where: short stacking energy: -38.084
Base-Backbone interact. energy: -0.108
local terms energy: -63.334971
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -98.071685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.071685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.071685 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -28.018
Base-Backbone interact. energy: -0.045
local terms energy: -64.582785
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -2.961
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: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -330.280783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.280783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.280783 (E_RNA)
where:
Base-Base interactions energy: -224.306
where: short stacking energy: -91.771
Base-Backbone interact. energy: -0.512
local terms energy: -105.462466
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -27.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -305.187460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.187460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.187460 (E_RNA)
where:
Base-Base interactions energy: -214.272
where: short stacking energy: -96.900
Base-Backbone interact. energy: -1.330
local terms energy: -89.585077
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -24.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -302.340444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.340444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.340444 (E_RNA)
where:
Base-Base interactions energy: -196.047
where: short stacking energy: -94.662
Base-Backbone interact. energy: -0.092
local terms energy: -106.201306
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -15.189
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: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -249.664390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.664390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.664390 (E_RNA)
where:
Base-Base interactions energy: -161.628
where: short stacking energy: -73.183
Base-Backbone interact. energy: -0.130
local terms energy: -87.906806
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -241.457055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.457055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.457055 (E_RNA)
where:
Base-Base interactions energy: -147.875
where: short stacking energy: -71.349
Base-Backbone interact. energy: -0.053
local terms energy: -93.528711
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -224.632188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.632188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.632188 (E_RNA)
where:
Base-Base interactions energy: -140.465
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.553
local terms energy: -83.613557
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -144.695971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.695971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.695971 (E_RNA)
where:
Base-Base interactions energy: -77.182
where: short stacking energy: -48.529
Base-Backbone interact. energy: -0.892
local terms energy: -66.621216
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -123.091211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.091211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.091211 (E_RNA)
where:
Base-Base interactions energy: -58.654
where: short stacking energy: -34.722
Base-Backbone interact. energy: -0.241
local terms energy: -64.195840
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -118.251137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.251137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.251137 (E_RNA)
where:
Base-Base interactions energy: -47.345
where: short stacking energy: -43.894
Base-Backbone interact. energy: -0.466
local terms energy: -70.440402
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -8.974
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: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -103.961729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.961729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.961729 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -26.828
Base-Backbone interact. energy: -1.035
local terms energy: -66.065593
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -318.363392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.363392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.363392 (E_RNA)
where:
Base-Base interactions energy: -216.376
where: short stacking energy: -86.475
Base-Backbone interact. energy: -0.485
local terms energy: -101.501988
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -22.354
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -335.346527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.346527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.346527 (E_RNA)
where:
Base-Base interactions energy: -223.777
where: short stacking energy: -98.763
Base-Backbone interact. energy: 0.303
local terms energy: -111.873082
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -27.901
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: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -296.214578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.214578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.214578 (E_RNA)
where:
Base-Base interactions energy: -197.625
where: short stacking energy: -98.160
Base-Backbone interact. energy: -0.392
local terms energy: -98.197959
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -24.143
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: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -256.588745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.588745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.588745 (E_RNA)
where:
Base-Base interactions energy: -164.500
where: short stacking energy: -76.570
Base-Backbone interact. energy: -3.408
local terms energy: -88.680223
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -17.155
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: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -231.236771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.236771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.236771 (E_RNA)
where:
Base-Base interactions energy: -147.359
where: short stacking energy: -64.446
Base-Backbone interact. energy: 1.569
local terms energy: -85.446710
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -221.556859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.556859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.556859 (E_RNA)
where:
Base-Base interactions energy: -138.091
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.115
local terms energy: -83.350509
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -136.429709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.429709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.429709 (E_RNA)
where:
Base-Base interactions energy: -74.682
where: short stacking energy: -39.876
Base-Backbone interact. energy: -0.489
local terms energy: -61.258520
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -134.487577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.487577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.487577 (E_RNA)
where:
Base-Base interactions energy: -57.526
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.135
local terms energy: -76.826069
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -110.804194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.804194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.804194 (E_RNA)
where:
Base-Base interactions energy: -44.171
where: short stacking energy: -39.104
Base-Backbone interact. energy: 0.597
local terms energy: -67.230073
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -95.249281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.249281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.249281 (E_RNA)
where:
Base-Base interactions energy: -37.295
where: short stacking energy: -36.703
Base-Backbone interact. energy: -0.490
local terms energy: -57.463830
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: 3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -316.124269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.124269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.124269 (E_RNA)
where:
Base-Base interactions energy: -213.089
where: short stacking energy: -91.635
Base-Backbone interact. energy: -1.874
local terms energy: -101.161621
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -24.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -315.710411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.710411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.710411 (E_RNA)
where:
Base-Base interactions energy: -210.718
where: short stacking energy: -103.083
Base-Backbone interact. energy: -0.136
local terms energy: -104.856762
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -31.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -305.909260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.909260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.909260 (E_RNA)
where:
Base-Base interactions energy: -194.988
where: short stacking energy: -93.651
Base-Backbone interact. energy: -0.540
local terms energy: -110.381853
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -27.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -246.125436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.125436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.125436 (E_RNA)
where:
Base-Base interactions energy: -155.719
where: short stacking energy: -82.018
Base-Backbone interact. energy: -0.229
local terms energy: -90.177559
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -277.764226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.764226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.764226 (E_RNA)
where:
Base-Base interactions energy: -177.464
where: short stacking energy: -87.493
Base-Backbone interact. energy: -0.043
local terms energy: -100.257210
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -25.863
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: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -220.600429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.600429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.600429 (E_RNA)
where:
Base-Base interactions energy: -139.235
where: short stacking energy: -67.052
Base-Backbone interact. energy: 0.175
local terms energy: -81.540214
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -7.668
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: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -136.849605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.849605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.849605 (E_RNA)
where:
Base-Base interactions energy: -65.394
where: short stacking energy: -38.072
Base-Backbone interact. energy: 1.709
local terms energy: -73.164588
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -116.055681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.055681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.055681 (E_RNA)
where:
Base-Base interactions energy: -48.736
where: short stacking energy: -38.762
Base-Backbone interact. energy: -0.465
local terms energy: -66.854432
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -113.450251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.450251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.450251 (E_RNA)
where:
Base-Base interactions energy: -45.598
where: short stacking energy: -42.226
Base-Backbone interact. energy: 1.170
local terms energy: -69.021975
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -104.428714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.428714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.428714 (E_RNA)
where:
Base-Base interactions energy: -42.481
where: short stacking energy: -41.434
Base-Backbone interact. energy: -0.294
local terms energy: -61.654519
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -7.006
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: 182
Temperature: 0.900000
Total energy: -321.636648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.636648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.636648 (E_RNA)
where:
Base-Base interactions energy: -216.682
where: short stacking energy: -95.497
Base-Backbone interact. energy: -1.528
local terms energy: -103.426495
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -26.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -310.799889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.799889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.799889 (E_RNA)
where:
Base-Base interactions energy: -196.600
where: short stacking energy: -99.437
Base-Backbone interact. energy: -0.711
local terms energy: -113.488480
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -16.615
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -292.107613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.107613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.107613 (E_RNA)
where:
Base-Base interactions energy: -189.845
where: short stacking energy: -95.134
Base-Backbone interact. energy: -0.680
local terms energy: -101.582436
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -24.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -260.232093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.232093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.232093 (E_RNA)
where:
Base-Base interactions energy: -175.046
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.151
local terms energy: -85.034966
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -19.501
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: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -265.815130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.815130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.815130 (E_RNA)
where:
Base-Base interactions energy: -169.043
where: short stacking energy: -93.516
Base-Backbone interact. energy: -0.033
local terms energy: -96.738274
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -26.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -212.586341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.586341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.586341 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.379
local terms energy: -85.793441
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -12.144
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: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -119.517305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.517305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.517305 (E_RNA)
where:
Base-Base interactions energy: -49.857
where: short stacking energy: -27.770
Base-Backbone interact. energy: -0.394
local terms energy: -69.266080
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: 0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -115.379946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.379946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.379946 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -42.385
Base-Backbone interact. energy: -0.055
local terms energy: -69.674133
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -99.533193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.533193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.533193 (E_RNA)
where:
Base-Base interactions energy: -33.403
where: short stacking energy: -31.726
Base-Backbone interact. energy: 1.178
local terms energy: -67.307653
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: 1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -107.055600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.055600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.055600 (E_RNA)
where:
Base-Base interactions energy: -47.762
where: short stacking energy: -39.090
Base-Backbone interact. energy: 0.837
local terms energy: -60.130722
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -316.682466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.682466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.682466 (E_RNA)
where:
Base-Base interactions energy: -217.345
where: short stacking energy: -93.781
Base-Backbone interact. energy: -1.117
local terms energy: -98.220389
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -27.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -304.541390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.541390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.541390 (E_RNA)
where:
Base-Base interactions energy: -197.038
where: short stacking energy: -90.083
Base-Backbone interact. energy: -1.319
local terms energy: -106.183781
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -294.650239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.650239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.650239 (E_RNA)
where:
Base-Base interactions energy: -201.600
where: short stacking energy: -98.708
Base-Backbone interact. energy: -1.626
local terms energy: -91.424515
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -22.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -269.327574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.327574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.327574 (E_RNA)
where:
Base-Base interactions energy: -167.329
where: short stacking energy: -81.590
Base-Backbone interact. energy: -0.115
local terms energy: -101.883901
where:
bonds (distance) C4'-P energy: -21.556
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -239.234212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.234212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.234212 (E_RNA)
where:
Base-Base interactions energy: -148.818
where: short stacking energy: -72.116
Base-Backbone interact. energy: 0.593
local terms energy: -91.008882
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -12.353
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: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -243.356365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.356365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.356365 (E_RNA)
where:
Base-Base interactions energy: -142.739
where: short stacking energy: -68.073
Base-Backbone interact. energy: -0.160
local terms energy: -100.457763
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -19.427
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: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -127.119341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.119341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.119341 (E_RNA)
where:
Base-Base interactions energy: -53.925
where: short stacking energy: -53.925
Base-Backbone interact. energy: -0.113
local terms energy: -73.080925
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -117.039759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.039759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.039759 (E_RNA)
where:
Base-Base interactions energy: -54.571
where: short stacking energy: -43.562
Base-Backbone interact. energy: -0.189
local terms energy: -62.279301
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -2.479
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: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -105.964054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.964054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.964054 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -31.860
Base-Backbone interact. energy: -0.552
local terms energy: -60.242795
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: 2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -107.192119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.192119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.192119 (E_RNA)
where:
Base-Base interactions energy: -42.396
where: short stacking energy: -28.559
Base-Backbone interact. energy: -0.400
local terms energy: -64.395957
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: 1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -315.065357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.065357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.065357 (E_RNA)
where:
Base-Base interactions energy: -211.141
where: short stacking energy: -91.261
Base-Backbone interact. energy: -0.350
local terms energy: -103.573858
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -25.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -302.865270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.865270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.865270 (E_RNA)
where:
Base-Base interactions energy: -204.378
where: short stacking energy: -88.370
Base-Backbone interact. energy: -0.493
local terms energy: -97.994352
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -23.349
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: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -297.584159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.584159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.584159 (E_RNA)
where:
Base-Base interactions energy: -194.982
where: short stacking energy: -89.675
Base-Backbone interact. energy: -1.931
local terms energy: -100.671823
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -27.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -258.648384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.648384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.648384 (E_RNA)
where:
Base-Base interactions energy: -169.375
where: short stacking energy: -92.786
Base-Backbone interact. energy: -0.279
local terms energy: -88.994426
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -17.761
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: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -235.917661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.917661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.917661 (E_RNA)
where:
Base-Base interactions energy: -148.428
where: short stacking energy: -74.266
Base-Backbone interact. energy: -0.335
local terms energy: -87.154132
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -227.920884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.920884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.920884 (E_RNA)
where:
Base-Base interactions energy: -138.152
where: short stacking energy: -80.954
Base-Backbone interact. energy: -0.214
local terms energy: -89.554653
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -17.172
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: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -124.485557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.485557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.485557 (E_RNA)
where:
Base-Base interactions energy: -51.831
where: short stacking energy: -38.110
Base-Backbone interact. energy: -0.325
local terms energy: -72.328973
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -114.762191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.762191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.762191 (E_RNA)
where:
Base-Base interactions energy: -46.460
where: short stacking energy: -40.138
Base-Backbone interact. energy: 1.205
local terms energy: -69.506296
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -105.457248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.457248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.457248 (E_RNA)
where:
Base-Base interactions energy: -44.730
where: short stacking energy: -42.634
Base-Backbone interact. energy: 0.383
local terms energy: -61.110811
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: 2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -115.266171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.266171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.266171 (E_RNA)
where:
Base-Base interactions energy: -45.579
where: short stacking energy: -41.390
Base-Backbone interact. energy: 0.094
local terms energy: -69.781116
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -326.865719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.865719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.865719 (E_RNA)
where:
Base-Base interactions energy: -215.175
where: short stacking energy: -103.167
Base-Backbone interact. energy: 0.121
local terms energy: -111.811072
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -27.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -305.567373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.567373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.567373 (E_RNA)
where:
Base-Base interactions energy: -202.860
where: short stacking energy: -101.887
Base-Backbone interact. energy: -0.167
local terms energy: -102.541114
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -25.696
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: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -308.461040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.461040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.461040 (E_RNA)
where:
Base-Base interactions energy: -205.221
where: short stacking energy: -95.886
Base-Backbone interact. energy: -0.611
local terms energy: -102.628239
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -24.080
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: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -242.724808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.724808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.724808 (E_RNA)
where:
Base-Base interactions energy: -158.347
where: short stacking energy: -77.258
Base-Backbone interact. energy: -0.205
local terms energy: -84.172679
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -23.491
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: 185
Temperature: 1.100000
Total energy: -243.398711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.398711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.398711 (E_RNA)
where:
Base-Base interactions energy: -157.269
where: short stacking energy: -78.303
Base-Backbone interact. energy: -0.116
local terms energy: -86.013795
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -18.265
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: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -228.197718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.197718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.197718 (E_RNA)
where:
Base-Base interactions energy: -132.113
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.204
local terms energy: -95.880660
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -151.156204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.156204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.156204 (E_RNA)
where:
Base-Base interactions energy: -65.044
where: short stacking energy: -36.623
Base-Backbone interact. energy: 0.438
local terms energy: -86.550713
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -116.593197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.593197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.593197 (E_RNA)
where:
Base-Base interactions energy: -52.414
where: short stacking energy: -40.616
Base-Backbone interact. energy: 0.061
local terms energy: -64.239750
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -110.734234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.734234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.734234 (E_RNA)
where:
Base-Base interactions energy: -44.872
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.035
local terms energy: -65.827446
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: 0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -106.472285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.472285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.472285 (E_RNA)
where:
Base-Base interactions energy: -34.704
where: short stacking energy: -34.701
Base-Backbone interact. energy: 0.852
local terms energy: -72.620706
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -5.086
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: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -323.184890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.184890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.184890 (E_RNA)
where:
Base-Base interactions energy: -213.439
where: short stacking energy: -102.214
Base-Backbone interact. energy: -0.121
local terms energy: -109.625816
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -27.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -307.195691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.195691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.195691 (E_RNA)
where:
Base-Base interactions energy: -200.015
where: short stacking energy: -94.758
Base-Backbone interact. energy: -0.428
local terms energy: -106.753122
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -24.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -292.104872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.104872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.104872 (E_RNA)
where:
Base-Base interactions energy: -190.542
where: short stacking energy: -76.004
Base-Backbone interact. energy: -0.251
local terms energy: -101.312402
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -244.872544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.872544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.872544 (E_RNA)
where:
Base-Base interactions energy: -153.947
where: short stacking energy: -78.986
Base-Backbone interact. energy: -0.254
local terms energy: -90.671172
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -259.518685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.518685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.518685 (E_RNA)
where:
Base-Base interactions energy: -165.705
where: short stacking energy: -79.882
Base-Backbone interact. energy: -0.230
local terms energy: -93.584199
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -218.829636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.829636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.829636 (E_RNA)
where:
Base-Base interactions energy: -133.106
where: short stacking energy: -75.494
Base-Backbone interact. energy: -0.210
local terms energy: -85.514003
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -137.511516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.511516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.511516 (E_RNA)
where:
Base-Base interactions energy: -65.952
where: short stacking energy: -54.804
Base-Backbone interact. energy: -0.062
local terms energy: -71.497959
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -11.549
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: 8, replica: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -130.499120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.499120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.499120 (E_RNA)
where:
Base-Base interactions energy: -57.528
where: short stacking energy: -52.422
Base-Backbone interact. energy: 0.277
local terms energy: -73.248553
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -110.253446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.253446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.253446 (E_RNA)
where:
Base-Base interactions energy: -42.406
where: short stacking energy: -39.549
Base-Backbone interact. energy: 1.002
local terms energy: -68.849489
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -110.403300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.403300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.403300 (E_RNA)
where:
Base-Base interactions energy: -41.351
where: short stacking energy: -35.514
Base-Backbone interact. energy: -0.015
local terms energy: -69.037296
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -322.357332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.357332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.357332 (E_RNA)
where:
Base-Base interactions energy: -216.800
where: short stacking energy: -101.271
Base-Backbone interact. energy: -0.689
local terms energy: -104.868437
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -28.892
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: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -312.341794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.341794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.341794 (E_RNA)
where:
Base-Base interactions energy: -203.179
where: short stacking energy: -95.987
Base-Backbone interact. energy: -0.631
local terms energy: -108.531676
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -27.739
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: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -296.614466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.614466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.614466 (E_RNA)
where:
Base-Base interactions energy: -195.158
where: short stacking energy: -84.438
Base-Backbone interact. energy: -1.160
local terms energy: -100.296106
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -229.602164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.602164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.602164 (E_RNA)
where:
Base-Base interactions energy: -146.312
where: short stacking energy: -80.073
Base-Backbone interact. energy: -0.218
local terms energy: -83.071986
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -236.207927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.207927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.207927 (E_RNA)
where:
Base-Base interactions energy: -146.516
where: short stacking energy: -76.778
Base-Backbone interact. energy: -0.162
local terms energy: -89.530043
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -205.692032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.692032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.692032 (E_RNA)
where:
Base-Base interactions energy: -123.682
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.139
local terms energy: -81.870854
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -11.887
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: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -129.939923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.939923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.939923 (E_RNA)
where:
Base-Base interactions energy: -60.130
where: short stacking energy: -41.404
Base-Backbone interact. energy: -0.144
local terms energy: -69.665599
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -111.738906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.738906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.738906 (E_RNA)
where:
Base-Base interactions energy: -45.292
where: short stacking energy: -30.599
Base-Backbone interact. energy: 1.251
local terms energy: -67.697563
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -110.703761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.703761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.703761 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -32.835
Base-Backbone interact. energy: -0.516
local terms energy: -70.149201
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -113.912286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.912286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.912286 (E_RNA)
where:
Base-Base interactions energy: -54.797
where: short stacking energy: -46.076
Base-Backbone interact. energy: -0.031
local terms energy: -59.085172
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -4.208
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: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -327.669009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.669009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.669009 (E_RNA)
where:
Base-Base interactions energy: -216.334
where: short stacking energy: -101.102
Base-Backbone interact. energy: -0.121
local terms energy: -111.214033
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -306.249790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.249790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.249790 (E_RNA)
where:
Base-Base interactions energy: -198.963
where: short stacking energy: -86.666
Base-Backbone interact. energy: 0.648
local terms energy: -107.933824
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -27.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -237.728422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.728422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.728422 (E_RNA)
where:
Base-Base interactions energy: -144.816
where: short stacking energy: -79.560
Base-Backbone interact. energy: -0.002
local terms energy: -92.910244
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -25.800
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: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -305.321364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.321364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.321364 (E_RNA)
where:
Base-Base interactions energy: -206.660
where: short stacking energy: -94.458
Base-Backbone interact. energy: -0.720
local terms energy: -97.941384
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -216.607822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.607822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.607822 (E_RNA)
where:
Base-Base interactions energy: -120.545
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.006
local terms energy: -96.057535
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -15.916
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: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -236.558323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.558323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.558323 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -74.722
Base-Backbone interact. energy: 0.010
local terms energy: -98.445173
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -22.631
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: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -123.795932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.795932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.795932 (E_RNA)
where:
Base-Base interactions energy: -53.515
where: short stacking energy: -43.999
Base-Backbone interact. energy: -0.383
local terms energy: -69.897730
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -108.667590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.667590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.667590 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -26.618
Base-Backbone interact. energy: -0.993
local terms energy: -73.918507
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -102.983338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.983338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.983338 (E_RNA)
where:
Base-Base interactions energy: -40.368
where: short stacking energy: -19.438
Base-Backbone interact. energy: -0.596
local terms energy: -62.019658
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: 4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -115.945589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.945589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.945589 (E_RNA)
where:
Base-Base interactions energy: -53.702
where: short stacking energy: -53.702
Base-Backbone interact. energy: -0.696
local terms energy: -61.547622
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -318.423491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.423491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.423491 (E_RNA)
where:
Base-Base interactions energy: -208.948
where: short stacking energy: -87.272
Base-Backbone interact. energy: -0.176
local terms energy: -109.300212
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -29.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -308.432434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.432434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.432434 (E_RNA)
where:
Base-Base interactions energy: -204.086
where: short stacking energy: -97.116
Base-Backbone interact. energy: -0.641
local terms energy: -103.705727
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -26.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -238.990891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.990891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.990891 (E_RNA)
where:
Base-Base interactions energy: -144.068
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.032
local terms energy: -94.891256
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -296.709951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.709951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.709951 (E_RNA)
where:
Base-Base interactions energy: -198.439
where: short stacking energy: -87.927
Base-Backbone interact. energy: 1.949
local terms energy: -100.219972
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -26.245
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: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -211.550177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.550177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.550177 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -42.158
Base-Backbone interact. energy: -1.363
local terms energy: -83.412818
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -220.185366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.185366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.185366 (E_RNA)
where:
Base-Base interactions energy: -135.040
where: short stacking energy: -71.344
Base-Backbone interact. energy: -0.086
local terms energy: -85.059985
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -19.390
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: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -118.547953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.547953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.547953 (E_RNA)
where:
Base-Base interactions energy: -49.319
where: short stacking energy: -48.815
Base-Backbone interact. energy: -0.159
local terms energy: -69.070228
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -106.781750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.781750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.781750 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -34.776
Base-Backbone interact. energy: -0.203
local terms energy: -67.155006
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -101.431435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.431435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.431435 (E_RNA)
where:
Base-Base interactions energy: -37.271
where: short stacking energy: -25.427
Base-Backbone interact. energy: -0.870
local terms energy: -63.290916
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: 6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -102.650230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.650230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.650230 (E_RNA)
where:
Base-Base interactions energy: -39.607
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.878
local terms energy: -62.165510
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -311.426058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.426058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.426058 (E_RNA)
where:
Base-Base interactions energy: -200.802
where: short stacking energy: -97.408
Base-Backbone interact. energy: -0.042
local terms energy: -110.581586
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -28.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -311.859813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.859813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.859813 (E_RNA)
where:
Base-Base interactions energy: -204.202
where: short stacking energy: -104.450
Base-Backbone interact. energy: -0.050
local terms energy: -107.608018
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -289.673382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.673382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.673382 (E_RNA)
where:
Base-Base interactions energy: -188.249
where: short stacking energy: -88.559
Base-Backbone interact. energy: -0.975
local terms energy: -100.449433
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -21.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -244.330465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.330465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.330465 (E_RNA)
where:
Base-Base interactions energy: -158.851
where: short stacking energy: -66.630
Base-Backbone interact. energy: -0.029
local terms energy: -85.449936
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -233.118777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.118777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.118777 (E_RNA)
where:
Base-Base interactions energy: -140.625
where: short stacking energy: -75.852
Base-Backbone interact. energy: -0.503
local terms energy: -91.990931
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -20.493
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: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -214.842226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.842226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.842226 (E_RNA)
where:
Base-Base interactions energy: -126.767
where: short stacking energy: -66.602
Base-Backbone interact. energy: 0.355
local terms energy: -88.430251
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -17.055
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: 190
Temperature: 1.200000
Total energy: -131.571751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.571751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.571751 (E_RNA)
where:
Base-Base interactions energy: -50.620
where: short stacking energy: -50.620
Base-Backbone interact. energy: 0.129
local terms energy: -81.080566
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -113.645135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.645135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.645135 (E_RNA)
where:
Base-Base interactions energy: -44.701
where: short stacking energy: -36.813
Base-Backbone interact. energy: -0.182
local terms energy: -68.762370
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -101.902290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.902290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.902290 (E_RNA)
where:
Base-Base interactions energy: -34.411
where: short stacking energy: -21.663
Base-Backbone interact. energy: -0.334
local terms energy: -67.157341
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -107.377311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.377311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.377311 (E_RNA)
where:
Base-Base interactions energy: -49.211
where: short stacking energy: -49.211
Base-Backbone interact. energy: -0.195
local terms energy: -57.971832
where:
bonds (distance) C4'-P energy: -5.749
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -318.589378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.589378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.589378 (E_RNA)
where:
Base-Base interactions energy: -212.282
where: short stacking energy: -104.769
Base-Backbone interact. energy: -0.845
local terms energy: -105.462421
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -304.858669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.858669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.858669 (E_RNA)
where:
Base-Base interactions energy: -204.533
where: short stacking energy: -92.295
Base-Backbone interact. energy: -2.461
local terms energy: -97.864425
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -28.476
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: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -278.507180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.507180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.507180 (E_RNA)
where:
Base-Base interactions energy: -183.311
where: short stacking energy: -79.838
Base-Backbone interact. energy: -1.783
local terms energy: -93.412532
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -242.073339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.073339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.073339 (E_RNA)
where:
Base-Base interactions energy: -157.543
where: short stacking energy: -84.021
Base-Backbone interact. energy: -0.160
local terms energy: -84.370432
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -222.262772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.262772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.262772 (E_RNA)
where:
Base-Base interactions energy: -145.339
where: short stacking energy: -75.299
Base-Backbone interact. energy: 0.580
local terms energy: -77.503807
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -17.969
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: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -217.636661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.636661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.636661 (E_RNA)
where:
Base-Base interactions energy: -134.557
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.195
local terms energy: -82.885103
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -126.206768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.206768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.206768 (E_RNA)
where:
Base-Base interactions energy: -47.604
where: short stacking energy: -38.969
Base-Backbone interact. energy: -0.039
local terms energy: -78.563459
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -145.269846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.269846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.269846 (E_RNA)
where:
Base-Base interactions energy: -75.830
where: short stacking energy: -48.844
Base-Backbone interact. energy: -0.388
local terms energy: -69.052675
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -9.604
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: 191
Temperature: 1.300000
Total energy: -121.290890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.290890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.290890 (E_RNA)
where:
Base-Base interactions energy: -50.068
where: short stacking energy: -37.223
Base-Backbone interact. energy: -0.024
local terms energy: -71.198679
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -11.291
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: 191
Temperature: 1.350000
Total energy: -105.302105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.302105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.302105 (E_RNA)
where:
Base-Base interactions energy: -33.281
where: short stacking energy: -33.281
Base-Backbone interact. energy: -0.094
local terms energy: -71.927461
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -11.605
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: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -315.737456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.737456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.737456 (E_RNA)
where:
Base-Base interactions energy: -211.147
where: short stacking energy: -99.293
Base-Backbone interact. energy: -0.249
local terms energy: -104.341067
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -321.335872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.335872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.335872 (E_RNA)
where:
Base-Base interactions energy: -213.007
where: short stacking energy: -107.314
Base-Backbone interact. energy: -0.566
local terms energy: -107.763230
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -30.272
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: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -255.832144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.832144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.832144 (E_RNA)
where:
Base-Base interactions energy: -155.076
where: short stacking energy: -83.054
Base-Backbone interact. energy: -0.044
local terms energy: -100.712112
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -282.566579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.566579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.566579 (E_RNA)
where:
Base-Base interactions energy: -191.001
where: short stacking energy: -76.025
Base-Backbone interact. energy: 2.349
local terms energy: -93.914280
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -221.159797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.159797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.159797 (E_RNA)
where:
Base-Base interactions energy: -138.589
where: short stacking energy: -67.375
Base-Backbone interact. energy: 0.083
local terms energy: -82.654562
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -15.587
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: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -190.186914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.186914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.186914 (E_RNA)
where:
Base-Base interactions energy: -106.151
where: short stacking energy: -59.867
Base-Backbone interact. energy: -0.482
local terms energy: -83.553480
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -8.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -126.803166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.803166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.803166 (E_RNA)
where:
Base-Base interactions energy: -52.025
where: short stacking energy: -47.769
Base-Backbone interact. energy: -0.311
local terms energy: -74.467269
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -112.207909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.207909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.207909 (E_RNA)
where:
Base-Base interactions energy: -45.942
where: short stacking energy: -28.392
Base-Backbone interact. energy: 2.044
local terms energy: -68.309549
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: 2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -101.213859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.213859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.213859 (E_RNA)
where:
Base-Base interactions energy: -33.266
where: short stacking energy: -29.436
Base-Backbone interact. energy: -0.177
local terms energy: -67.770402
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: 2.016
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: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -100.304913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.304913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.304913 (E_RNA)
where:
Base-Base interactions energy: -45.542
where: short stacking energy: -29.258
Base-Backbone interact. energy: -0.012
local terms energy: -54.750486
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: 0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -322.778870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.778870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.778870 (E_RNA)
where:
Base-Base interactions energy: -219.637
where: short stacking energy: -109.055
Base-Backbone interact. energy: 0.545
local terms energy: -103.687280
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -27.389
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: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -315.953982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.953982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.953982 (E_RNA)
where:
Base-Base interactions energy: -203.655
where: short stacking energy: -103.825
Base-Backbone interact. energy: -0.016
local terms energy: -112.283571
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -29.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -251.089272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.089272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.089272 (E_RNA)
where:
Base-Base interactions energy: -151.422
where: short stacking energy: -90.965
Base-Backbone interact. energy: -0.002
local terms energy: -99.665221
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -262.649903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.649903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.649903 (E_RNA)
where:
Base-Base interactions energy: -174.861
where: short stacking energy: -81.966
Base-Backbone interact. energy: -0.148
local terms energy: -87.640586
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -14.749
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -231.253655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.253655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.253655 (E_RNA)
where:
Base-Base interactions energy: -140.991
where: short stacking energy: -74.531
Base-Backbone interact. energy: -0.002
local terms energy: -90.260720
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -194.443540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.443540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.443540 (E_RNA)
where:
Base-Base interactions energy: -126.798
where: short stacking energy: -66.637
Base-Backbone interact. energy: 0.574
local terms energy: -68.219504
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -15.350
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: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -121.782552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.782552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.782552 (E_RNA)
where:
Base-Base interactions energy: -51.507
where: short stacking energy: -36.901
Base-Backbone interact. energy: -0.137
local terms energy: -70.138877
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -1.535
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: 193
Temperature: 1.250000
Total energy: -131.152539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.152539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.152539 (E_RNA)
where:
Base-Base interactions energy: -62.710
where: short stacking energy: -41.889
Base-Backbone interact. energy: -0.504
local terms energy: -67.938158
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -124.246907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.246907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.246907 (E_RNA)
where:
Base-Base interactions energy: -53.601
where: short stacking energy: -42.978
Base-Backbone interact. energy: -0.132
local terms energy: -70.514246
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -105.698306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.698306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.698306 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.242
local terms energy: -75.542811
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -26.263
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -311.271313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.271313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.271313 (E_RNA)
where:
Base-Base interactions energy: -205.708
where: short stacking energy: -109.040
Base-Backbone interact. energy: -0.034
local terms energy: -105.528585
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -27.915
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: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -313.960082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.960082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.960082 (E_RNA)
where:
Base-Base interactions energy: -218.901
where: short stacking energy: -102.246
Base-Backbone interact. energy: -1.621
local terms energy: -93.438507
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -21.041
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: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -276.752260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.752260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.752260 (E_RNA)
where:
Base-Base interactions energy: -179.583
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.346
local terms energy: -96.823104
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -243.836076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.836076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.836076 (E_RNA)
where:
Base-Base interactions energy: -143.558
where: short stacking energy: -79.689
Base-Backbone interact. energy: -0.001
local terms energy: -100.276986
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -225.818496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.818496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.818496 (E_RNA)
where:
Base-Base interactions energy: -141.489
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.393
local terms energy: -83.937095
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -13.776
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: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -222.691624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.691624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.691624 (E_RNA)
where:
Base-Base interactions energy: -139.089
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.021
local terms energy: -83.582212
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -152.959725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.959725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.959725 (E_RNA)
where:
Base-Base interactions energy: -87.735
where: short stacking energy: -52.952
Base-Backbone interact. energy: 1.157
local terms energy: -66.380914
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -122.817773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.817773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.817773 (E_RNA)
where:
Base-Base interactions energy: -48.067
where: short stacking energy: -39.609
Base-Backbone interact. energy: -0.554
local terms energy: -74.195936
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -2.914
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: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -118.681375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.681375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.681375 (E_RNA)
where:
Base-Base interactions energy: -36.898
where: short stacking energy: -32.780
Base-Backbone interact. energy: -0.438
local terms energy: -81.345182
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -4.118
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: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -105.206750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.206750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.206750 (E_RNA)
where:
Base-Base interactions energy: -46.847
where: short stacking energy: -44.771
Base-Backbone interact. energy: 1.465
local terms energy: -59.824560
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -8.745
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: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -325.804635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.804635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.804635 (E_RNA)
where:
Base-Base interactions energy: -217.689
where: short stacking energy: -92.769
Base-Backbone interact. energy: 0.018
local terms energy: -108.133912
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -23.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -306.479607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.479607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.479607 (E_RNA)
where:
Base-Base interactions energy: -209.821
where: short stacking energy: -95.094
Base-Backbone interact. energy: -0.566
local terms energy: -96.092481
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -24.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -312.499376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.499376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.499376 (E_RNA)
where:
Base-Base interactions energy: -212.180
where: short stacking energy: -96.368
Base-Backbone interact. energy: 1.457
local terms energy: -101.775993
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -227.020099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.020099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.020099 (E_RNA)
where:
Base-Base interactions energy: -137.192
where: short stacking energy: -72.269
Base-Backbone interact. energy: 0.171
local terms energy: -89.998896
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -233.543814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.543814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.543814 (E_RNA)
where:
Base-Base interactions energy: -137.623
where: short stacking energy: -72.000
Base-Backbone interact. energy: -0.478
local terms energy: -95.442722
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -13.524
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: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -212.790335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.790335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.790335 (E_RNA)
where:
Base-Base interactions energy: -121.794
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.129
local terms energy: -90.867327
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -16.366
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: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -173.185084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.185084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.185084 (E_RNA)
where:
Base-Base interactions energy: -88.824
where: short stacking energy: -56.074
Base-Backbone interact. energy: -0.188
local terms energy: -84.173011
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -13.487
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: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -118.761761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.761761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.761761 (E_RNA)
where:
Base-Base interactions energy: -52.545
where: short stacking energy: -47.771
Base-Backbone interact. energy: 0.926
local terms energy: -67.143403
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -123.794570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.794570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.794570 (E_RNA)
where:
Base-Base interactions energy: -54.202
where: short stacking energy: -46.672
Base-Backbone interact. energy: -0.467
local terms energy: -69.126326
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -98.539743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.539743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.539743 (E_RNA)
where:
Base-Base interactions energy: -42.156
where: short stacking energy: -28.902
Base-Backbone interact. energy: 1.728
local terms energy: -58.112315
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: 1.687
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: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -298.006022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.006022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.006022 (E_RNA)
where:
Base-Base interactions energy: -196.490
where: short stacking energy: -86.392
Base-Backbone interact. energy: -1.246
local terms energy: -100.270273
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -16.960
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: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -321.464034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.464034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.464034 (E_RNA)
where:
Base-Base interactions energy: -223.812
where: short stacking energy: -93.478
Base-Backbone interact. energy: -0.986
local terms energy: -96.665981
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -21.739
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: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -305.656504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.656504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.656504 (E_RNA)
where:
Base-Base interactions energy: -211.330
where: short stacking energy: -88.089
Base-Backbone interact. energy: -0.563
local terms energy: -93.763810
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -22.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -248.037190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.037190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.037190 (E_RNA)
where:
Base-Base interactions energy: -149.603
where: short stacking energy: -82.713
Base-Backbone interact. energy: -0.243
local terms energy: -98.191006
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -23.506
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: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -219.501734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.501734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.501734 (E_RNA)
where:
Base-Base interactions energy: -132.632
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.176
local terms energy: -86.693033
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -227.143361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.143361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.143361 (E_RNA)
where:
Base-Base interactions energy: -129.757
where: short stacking energy: -61.088
Base-Backbone interact. energy: -0.779
local terms energy: -96.608161
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -180.372841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.372841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.372841 (E_RNA)
where:
Base-Base interactions energy: -102.391
where: short stacking energy: -69.072
Base-Backbone interact. energy: -0.089
local terms energy: -77.892561
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -114.472922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.472922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.472922 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -43.337
Base-Backbone interact. energy: -0.714
local terms energy: -70.522351
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -21.338
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -106.440939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.440939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.440939 (E_RNA)
where:
Base-Base interactions energy: -32.904
where: short stacking energy: -20.413
Base-Backbone interact. energy: -0.252
local terms energy: -73.284889
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -115.147612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.147612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.147612 (E_RNA)
where:
Base-Base interactions energy: -50.003
where: short stacking energy: -50.003
Base-Backbone interact. energy: -0.010
local terms energy: -65.135307
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -6.486
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: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -309.567853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.567853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.567853 (E_RNA)
where:
Base-Base interactions energy: -208.908
where: short stacking energy: -89.174
Base-Backbone interact. energy: 1.855
local terms energy: -102.514819
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -24.379
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: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -320.050817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.050817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.050817 (E_RNA)
where:
Base-Base interactions energy: -212.156
where: short stacking energy: -85.142
Base-Backbone interact. energy: -0.249
local terms energy: -107.645521
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -24.622
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -28.253
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: 197
Temperature: 1.000000
Total energy: -298.533632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.533632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.533632 (E_RNA)
where:
Base-Base interactions energy: -194.190
where: short stacking energy: -89.663
Base-Backbone interact. energy: -1.201
local terms energy: -103.142693
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -255.214633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.214633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.214633 (E_RNA)
where:
Base-Base interactions energy: -154.195
where: short stacking energy: -81.462
Base-Backbone interact. energy: -0.213
local terms energy: -100.806571
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -23.316
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: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -219.169057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.169057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.169057 (E_RNA)
where:
Base-Base interactions energy: -132.558
where: short stacking energy: -69.319
Base-Backbone interact. energy: 3.200
local terms energy: -89.811950
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -17.720
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: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -229.802480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.802480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.802480 (E_RNA)
where:
Base-Base interactions energy: -144.460
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.006
local terms energy: -85.336701
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -166.615727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.615727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.615727 (E_RNA)
where:
Base-Base interactions energy: -96.524
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.133
local terms energy: -69.958505
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -9.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -114.026552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.026552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.026552 (E_RNA)
where:
Base-Base interactions energy: -41.680
where: short stacking energy: -38.679
Base-Backbone interact. energy: -0.248
local terms energy: -72.098001
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -4.911
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: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -109.281887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.281887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.281887 (E_RNA)
where:
Base-Base interactions energy: -43.215
where: short stacking energy: -40.798
Base-Backbone interact. energy: -0.318
local terms energy: -65.748588
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -114.856550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.856550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.856550 (E_RNA)
where:
Base-Base interactions energy: -49.593
where: short stacking energy: -47.620
Base-Backbone interact. energy: -0.106
local terms energy: -65.157560
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -331.670589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.670589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.670589 (E_RNA)
where:
Base-Base interactions energy: -225.682
where: short stacking energy: -102.810
Base-Backbone interact. energy: -0.155
local terms energy: -105.833241
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -305.531631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.531631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.531631 (E_RNA)
where:
Base-Base interactions energy: -208.233
where: short stacking energy: -91.645
Base-Backbone interact. energy: -1.570
local terms energy: -95.728473
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -23.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -299.245598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.245598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.245598 (E_RNA)
where:
Base-Base interactions energy: -195.986
where: short stacking energy: -80.327
Base-Backbone interact. energy: -0.361
local terms energy: -102.898306
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -27.066
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: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -248.111031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.111031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.111031 (E_RNA)
where:
Base-Base interactions energy: -150.544
where: short stacking energy: -87.521
Base-Backbone interact. energy: -0.063
local terms energy: -97.503478
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -23.986
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -22.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -235.500245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.500245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.500245 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -81.950
Base-Backbone interact. energy: -0.802
local terms energy: -93.057195
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -23.736
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: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -239.207773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.207773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.207773 (E_RNA)
where:
Base-Base interactions energy: -142.364
where: short stacking energy: -74.118
Base-Backbone interact. energy: -0.172
local terms energy: -96.671426
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -14.680
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: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -167.621237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.621237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.621237 (E_RNA)
where:
Base-Base interactions energy: -94.478
where: short stacking energy: -54.412
Base-Backbone interact. energy: -0.509
local terms energy: -72.633890
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -12.106
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: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -116.552877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.552877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.552877 (E_RNA)
where:
Base-Base interactions energy: -45.974
where: short stacking energy: -38.457
Base-Backbone interact. energy: 0.434
local terms energy: -71.013106
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -5.295
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: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -130.157414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.157414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.157414 (E_RNA)
where:
Base-Base interactions energy: -65.845
where: short stacking energy: -41.216
Base-Backbone interact. energy: -0.215
local terms energy: -64.097284
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -105.696272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.696272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.696272 (E_RNA)
where:
Base-Base interactions energy: -40.399
where: short stacking energy: -28.198
Base-Backbone interact. energy: -0.888
local terms energy: -64.409143
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -331.464749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.464749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.464749 (E_RNA)
where:
Base-Base interactions energy: -224.419
where: short stacking energy: -102.309
Base-Backbone interact. energy: -0.296
local terms energy: -106.750257
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -26.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -319.773805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.773805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.773805 (E_RNA)
where:
Base-Base interactions energy: -208.715
where: short stacking energy: -99.710
Base-Backbone interact. energy: -2.026
local terms energy: -109.032240
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -27.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -291.038322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.038322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.038322 (E_RNA)
where:
Base-Base interactions energy: -194.112
where: short stacking energy: -85.265
Base-Backbone interact. energy: -0.541
local terms energy: -96.385375
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -233.323232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.323232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.323232 (E_RNA)
where:
Base-Base interactions energy: -127.212
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.609
local terms energy: -105.501382
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -21.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -223.146181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.146181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.146181 (E_RNA)
where:
Base-Base interactions energy: -138.703
where: short stacking energy: -78.260
Base-Backbone interact. energy: -0.378
local terms energy: -84.064735
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -224.531596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.531596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.531596 (E_RNA)
where:
Base-Base interactions energy: -137.930
where: short stacking energy: -56.378
Base-Backbone interact. energy: -0.264
local terms energy: -86.337013
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -122.808885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.808885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.808885 (E_RNA)
where:
Base-Base interactions energy: -50.108
where: short stacking energy: -41.647
Base-Backbone interact. energy: 0.205
local terms energy: -72.906210
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -171.602467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.602467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.602467 (E_RNA)
where:
Base-Base interactions energy: -98.260
where: short stacking energy: -56.257
Base-Backbone interact. energy: -1.395
local terms energy: -71.948365
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -13.378
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: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -108.452243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.452243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.452243 (E_RNA)
where:
Base-Base interactions energy: -51.357
where: short stacking energy: -31.407
Base-Backbone interact. energy: 1.538
local terms energy: -58.633912
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -117.093557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.093557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.093557 (E_RNA)
where:
Base-Base interactions energy: -60.905
where: short stacking energy: -34.464
Base-Backbone interact. energy: -1.320
local terms energy: -54.868314
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: 2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -312.909048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.909048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.909048 (E_RNA)
where:
Base-Base interactions energy: -212.974
where: short stacking energy: -96.872
Base-Backbone interact. energy: -1.610
local terms energy: -98.325366
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -8.939
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: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -308.148652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.148652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.148652 (E_RNA)
where:
Base-Base interactions energy: -207.470
where: short stacking energy: -95.602
Base-Backbone interact. energy: 4.608
local terms energy: -105.286418
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -23.828
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -300.534210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.534210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.534210 (E_RNA)
where:
Base-Base interactions energy: -206.404
where: short stacking energy: -96.271
Base-Backbone interact. energy: -0.634
local terms energy: -93.496159
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -14.702
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: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -256.912652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.912652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.912652 (E_RNA)
where:
Base-Base interactions energy: -159.404
where: short stacking energy: -71.052
Base-Backbone interact. energy: -0.328
local terms energy: -97.179996
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -231.768674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.768674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.768674 (E_RNA)
where:
Base-Base interactions energy: -133.869
where: short stacking energy: -76.294
Base-Backbone interact. energy: -0.001
local terms energy: -97.898385
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -224.374582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.374582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.374582 (E_RNA)
where:
Base-Base interactions energy: -139.742
where: short stacking energy: -58.491
Base-Backbone interact. energy: -0.029
local terms energy: -84.603244
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -181.176690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.176690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.176690 (E_RNA)
where:
Base-Base interactions energy: -99.172
where: short stacking energy: -57.770
Base-Backbone interact. energy: -0.507
local terms energy: -81.497802
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -14.645
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: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -126.863669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.863669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.863669 (E_RNA)
where:
Base-Base interactions energy: -54.703
where: short stacking energy: -53.554
Base-Backbone interact. energy: -0.226
local terms energy: -71.935099
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -17.014
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: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -101.428135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.428135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.428135 (E_RNA)
where:
Base-Base interactions energy: -29.409
where: short stacking energy: -29.409
Base-Backbone interact. energy: -0.120
local terms energy: -71.899991
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -5.423
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: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -107.454111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.454111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.454111 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -25.877
Base-Backbone interact. energy: -0.265
local terms energy: -67.520473
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: 5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -327.103933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.103933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.103933 (E_RNA)
where:
Base-Base interactions energy: -221.050
where: short stacking energy: -99.896
Base-Backbone interact. energy: -0.505
local terms energy: -105.548857
where:
bonds (distance) C4'-P energy: -22.623
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -25.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -308.925312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.925312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.925312 (E_RNA)
where:
Base-Base interactions energy: -205.190
where: short stacking energy: -87.533
Base-Backbone interact. energy: -1.227
local terms energy: -102.508344
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -26.394
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: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -296.424644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.424644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.424644 (E_RNA)
where:
Base-Base interactions energy: -200.860
where: short stacking energy: -86.947
Base-Backbone interact. energy: -0.297
local terms energy: -95.267900
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -15.116
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: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -247.260151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.260151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.260151 (E_RNA)
where:
Base-Base interactions energy: -159.778
where: short stacking energy: -94.440
Base-Backbone interact. energy: 0.476
local terms energy: -87.958684
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -24.509
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: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -264.550375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.550375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.550375 (E_RNA)
where:
Base-Base interactions energy: -170.334
where: short stacking energy: -84.691
Base-Backbone interact. energy: -0.021
local terms energy: -94.195432
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -25.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -233.454129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.454129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.454129 (E_RNA)
where:
Base-Base interactions energy: -153.400
where: short stacking energy: -76.798
Base-Backbone interact. energy: -1.381
local terms energy: -78.674011
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -169.514470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.514470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.514470 (E_RNA)
where:
Base-Base interactions energy: -92.333
where: short stacking energy: -56.374
Base-Backbone interact. energy: -0.212
local terms energy: -76.969871
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -106.726839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.726839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.726839 (E_RNA)
where:
Base-Base interactions energy: -47.044
where: short stacking energy: -43.990
Base-Backbone interact. energy: -0.522
local terms energy: -59.161139
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -120.354972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.354972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.354972 (E_RNA)
where:
Base-Base interactions energy: -47.258
where: short stacking energy: -47.258
Base-Backbone interact. energy: 3.062
local terms energy: -76.159375
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -105.461182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.461182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.461182 (E_RNA)
where:
Base-Base interactions energy: -40.646
where: short stacking energy: -38.704
Base-Backbone interact. energy: -0.277
local terms energy: -64.538045
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -318.624411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.624411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.624411 (E_RNA)
where:
Base-Base interactions energy: -209.923
where: short stacking energy: -98.279
Base-Backbone interact. energy: -0.752
local terms energy: -107.949490
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -25.193
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -28.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -302.979292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.979292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.979292 (E_RNA)
where:
Base-Base interactions energy: -200.785
where: short stacking energy: -83.750
Base-Backbone interact. energy: -0.797
local terms energy: -101.396536
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -300.498408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.498408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.498408 (E_RNA)
where:
Base-Base interactions energy: -195.568
where: short stacking energy: -100.350
Base-Backbone interact. energy: -0.240
local terms energy: -104.690424
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -237.467801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.467801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.467801 (E_RNA)
where:
Base-Base interactions energy: -146.716
where: short stacking energy: -70.211
Base-Backbone interact. energy: -0.119
local terms energy: -90.632959
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -14.698
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: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -245.708940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.708940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.708940 (E_RNA)
where:
Base-Base interactions energy: -161.046
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.763
local terms energy: -83.899467
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -16.844
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: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -221.561021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.561021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.561021 (E_RNA)
where:
Base-Base interactions energy: -147.355
where: short stacking energy: -77.684
Base-Backbone interact. energy: -0.113
local terms energy: -74.092638
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -167.895442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.895442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.895442 (E_RNA)
where:
Base-Base interactions energy: -83.006
where: short stacking energy: -46.713
Base-Backbone interact. energy: -0.250
local terms energy: -84.639417
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -13.639
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: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -116.326999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.326999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.326999 (E_RNA)
where:
Base-Base interactions energy: -42.451
where: short stacking energy: -42.451
Base-Backbone interact. energy: 0.723
local terms energy: -74.598383
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -107.787684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.787684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.787684 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -31.493
Base-Backbone interact. energy: -0.261
local terms energy: -73.309550
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -101.986174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.986174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.986174 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -27.827
Base-Backbone interact. energy: -0.144
local terms energy: -68.430066
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -12.572
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: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -316.534878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.534878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.534878 (E_RNA)
where:
Base-Base interactions energy: -209.920
where: short stacking energy: -100.471
Base-Backbone interact. energy: -2.023
local terms energy: -104.591732
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -26.572
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: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -299.182086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.182086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.182086 (E_RNA)
where:
Base-Base interactions energy: -198.326
where: short stacking energy: -81.973
Base-Backbone interact. energy: -0.325
local terms energy: -100.530375
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -302.065070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.065070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.065070 (E_RNA)
where:
Base-Base interactions energy: -202.105
where: short stacking energy: -93.233
Base-Backbone interact. energy: -0.723
local terms energy: -99.237160
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -28.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -237.518018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.518018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.518018 (E_RNA)
where:
Base-Base interactions energy: -139.995
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.175
local terms energy: -97.347250
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -18.458
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: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -237.603067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.603067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.603067 (E_RNA)
where:
Base-Base interactions energy: -155.295
where: short stacking energy: -71.980
Base-Backbone interact. energy: -0.471
local terms energy: -81.836202
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -229.278302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.278302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.278302 (E_RNA)
where:
Base-Base interactions energy: -135.719
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.581
local terms energy: -92.977910
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -168.801478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.801478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.801478 (E_RNA)
where:
Base-Base interactions energy: -80.945
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.261
local terms energy: -87.595992
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -14.193
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: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -123.888857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.888857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.888857 (E_RNA)
where:
Base-Base interactions energy: -49.917
where: short stacking energy: -46.612
Base-Backbone interact. energy: 1.502
local terms energy: -75.474339
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -102.808076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.808076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.808076 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.697
local terms energy: -68.869893
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -12.752
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: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -114.504867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.504867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.504867 (E_RNA)
where:
Base-Base interactions energy: -38.102
where: short stacking energy: -37.472
Base-Backbone interact. energy: -0.168
local terms energy: -76.234111
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -12.841
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: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -307.342298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.342298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.342298 (E_RNA)
where:
Base-Base interactions energy: -198.928
where: short stacking energy: -86.367
Base-Backbone interact. energy: -0.402
local terms energy: -108.012624
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -292.569793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.569793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.569793 (E_RNA)
where:
Base-Base interactions energy: -194.383
where: short stacking energy: -88.604
Base-Backbone interact. energy: 0.294
local terms energy: -98.480292
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -304.041086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.041086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.041086 (E_RNA)
where:
Base-Base interactions energy: -203.676
where: short stacking energy: -91.770
Base-Backbone interact. energy: -0.884
local terms energy: -99.481522
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -22.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -245.748202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.748202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.748202 (E_RNA)
where:
Base-Base interactions energy: -151.440
where: short stacking energy: -81.322
Base-Backbone interact. energy: -0.486
local terms energy: -93.821507
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -19.533
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: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -228.184997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.184997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.184997 (E_RNA)
where:
Base-Base interactions energy: -131.020
where: short stacking energy: -77.700
Base-Backbone interact. energy: -0.592
local terms energy: -96.572899
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -228.944035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.944035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.944035 (E_RNA)
where:
Base-Base interactions energy: -142.543
where: short stacking energy: -60.665
Base-Backbone interact. energy: 1.837
local terms energy: -88.237916
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -18.642
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: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -170.657725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.657725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.657725 (E_RNA)
where:
Base-Base interactions energy: -94.752
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.628
local terms energy: -75.277785
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -14.348
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: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -117.355359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.355359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.355359 (E_RNA)
where:
Base-Base interactions energy: -49.268
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.146
local terms energy: -67.941054
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -121.981696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.981696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.981696 (E_RNA)
where:
Base-Base interactions energy: -40.093
where: short stacking energy: -35.343
Base-Backbone interact. energy: -0.196
local terms energy: -81.692865
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -16.948
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: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -107.156517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.156517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.156517 (E_RNA)
where:
Base-Base interactions energy: -39.353
where: short stacking energy: -38.317
Base-Backbone interact. energy: 2.503
local terms energy: -70.306586
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -318.673773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.673773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.673773 (E_RNA)
where:
Base-Base interactions energy: -210.148
where: short stacking energy: -99.121
Base-Backbone interact. energy: -0.122
local terms energy: -108.403460
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -301.381689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.381689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.381689 (E_RNA)
where:
Base-Base interactions energy: -201.950
where: short stacking energy: -92.147
Base-Backbone interact. energy: -0.703
local terms energy: -98.728868
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -11.375
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: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -288.421073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.421073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.421073 (E_RNA)
where:
Base-Base interactions energy: -190.618
where: short stacking energy: -96.940
Base-Backbone interact. energy: -2.403
local terms energy: -95.400347
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -252.552738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.552738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.552738 (E_RNA)
where:
Base-Base interactions energy: -151.938
where: short stacking energy: -86.067
Base-Backbone interact. energy: -0.093
local terms energy: -100.521620
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -27.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -238.316353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.316353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.316353 (E_RNA)
where:
Base-Base interactions energy: -145.869
where: short stacking energy: -78.227
Base-Backbone interact. energy: 0.248
local terms energy: -92.695677
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -223.360429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.360429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.360429 (E_RNA)
where:
Base-Base interactions energy: -134.643
where: short stacking energy: -74.911
Base-Backbone interact. energy: -0.751
local terms energy: -87.966136
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -115.745190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.745190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.745190 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -32.138
Base-Backbone interact. energy: -0.148
local terms energy: -78.255674
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -109.135389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.135389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.135389 (E_RNA)
where:
Base-Base interactions energy: -44.354
where: short stacking energy: -30.297
Base-Backbone interact. energy: -0.752
local terms energy: -64.029227
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: 1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -106.922639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.922639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.922639 (E_RNA)
where:
Base-Base interactions energy: -37.313
where: short stacking energy: -34.184
Base-Backbone interact. energy: -0.371
local terms energy: -69.238131
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -10.918
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: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -93.470176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.470176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.470176 (E_RNA)
where:
Base-Base interactions energy: -25.610
where: short stacking energy: -26.210
Base-Backbone interact. energy: -0.456
local terms energy: -67.404199
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -322.871886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.871886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.871886 (E_RNA)
where:
Base-Base interactions energy: -219.957
where: short stacking energy: -101.177
Base-Backbone interact. energy: -0.337
local terms energy: -102.577921
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -28.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -298.629522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.629522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.629522 (E_RNA)
where:
Base-Base interactions energy: -202.777
where: short stacking energy: -90.769
Base-Backbone interact. energy: -0.743
local terms energy: -95.109274
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -11.009
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: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -291.681936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.681936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.681936 (E_RNA)
where:
Base-Base interactions energy: -197.035
where: short stacking energy: -77.470
Base-Backbone interact. energy: -1.301
local terms energy: -93.345587
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -231.553163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.553163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.553163 (E_RNA)
where:
Base-Base interactions energy: -151.320
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.955
local terms energy: -79.277872
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -11.072
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: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -235.885580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.885580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.885580 (E_RNA)
where:
Base-Base interactions energy: -148.565
where: short stacking energy: -84.457
Base-Backbone interact. energy: -0.255
local terms energy: -87.065192
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -224.468603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.468603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.468603 (E_RNA)
where:
Base-Base interactions energy: -132.759
where: short stacking energy: -62.935
Base-Backbone interact. energy: -0.459
local terms energy: -91.251195
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -16.519
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: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -113.711859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.711859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.711859 (E_RNA)
where:
Base-Base interactions energy: -48.010
where: short stacking energy: -45.394
Base-Backbone interact. energy: -0.257
local terms energy: -65.445051
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -111.251827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.251827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.251827 (E_RNA)
where:
Base-Base interactions energy: -31.655
where: short stacking energy: -31.655
Base-Backbone interact. energy: 0.161
local terms energy: -79.758230
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -4.560
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: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -126.956494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.956494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.956494 (E_RNA)
where:
Base-Base interactions energy: -48.605
where: short stacking energy: -48.605
Base-Backbone interact. energy: -2.339
local terms energy: -76.012555
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -15.374
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: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -109.641470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.641470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.641470 (E_RNA)
where:
Base-Base interactions energy: -33.643
where: short stacking energy: -26.749
Base-Backbone interact. energy: -0.086
local terms energy: -75.912483
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -311.945891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.945891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.945891 (E_RNA)
where:
Base-Base interactions energy: -207.478
where: short stacking energy: -89.025
Base-Backbone interact. energy: 0.187
local terms energy: -104.654688
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -302.114479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.114479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.114479 (E_RNA)
where:
Base-Base interactions energy: -206.055
where: short stacking energy: -90.663
Base-Backbone interact. energy: -0.483
local terms energy: -95.576821
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -12.253
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: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -293.500215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.500215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.500215 (E_RNA)
where:
Base-Base interactions energy: -193.055
where: short stacking energy: -82.843
Base-Backbone interact. energy: -0.826
local terms energy: -99.618778
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -15.884
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: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -244.689728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.689728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.689728 (E_RNA)
where:
Base-Base interactions energy: -152.761
where: short stacking energy: -77.175
Base-Backbone interact. energy: 0.026
local terms energy: -91.954779
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -11.634
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: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -248.397324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.397324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.397324 (E_RNA)
where:
Base-Base interactions energy: -161.866
where: short stacking energy: -81.861
Base-Backbone interact. energy: -0.028
local terms energy: -86.502879
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -234.979928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.979928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.979928 (E_RNA)
where:
Base-Base interactions energy: -142.482
where: short stacking energy: -75.785
Base-Backbone interact. energy: -0.059
local terms energy: -92.439271
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -24.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -154.702892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.702892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.702892 (E_RNA)
where:
Base-Base interactions energy: -75.054
where: short stacking energy: -48.826
Base-Backbone interact. energy: -0.144
local terms energy: -79.505165
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -114.313817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.313817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.313817 (E_RNA)
where:
Base-Base interactions energy: -50.252
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.278
local terms energy: -63.784380
where:
bonds (distance) C4'-P energy: -5.160
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -16.625
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: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -113.459688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.459688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.459688 (E_RNA)
where:
Base-Base interactions energy: -47.792
where: short stacking energy: -43.049
Base-Backbone interact. energy: 1.908
local terms energy: -67.574781
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -94.846409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.846409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.846409 (E_RNA)
where:
Base-Base interactions energy: -37.071
where: short stacking energy: -33.413
Base-Backbone interact. energy: -0.085
local terms energy: -57.690763
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -319.322100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.322100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.322100 (E_RNA)
where:
Base-Base interactions energy: -219.635
where: short stacking energy: -103.842
Base-Backbone interact. energy: -0.172
local terms energy: -99.514390
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -329.776251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.776251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.776251 (E_RNA)
where:
Base-Base interactions energy: -227.690
where: short stacking energy: -108.416
Base-Backbone interact. energy: -0.162
local terms energy: -101.924845
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -23.491
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -305.056216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.056216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.056216 (E_RNA)
where:
Base-Base interactions energy: -212.100
where: short stacking energy: -95.649
Base-Backbone interact. energy: -1.029
local terms energy: -91.927656
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -239.323987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.323987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.323987 (E_RNA)
where:
Base-Base interactions energy: -151.880
where: short stacking energy: -85.420
Base-Backbone interact. energy: -1.175
local terms energy: -86.268681
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -21.697
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: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -239.570890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.570890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.570890 (E_RNA)
where:
Base-Base interactions energy: -152.897
where: short stacking energy: -85.054
Base-Backbone interact. energy: -0.002
local terms energy: -86.671759
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -23.815
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: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -239.583892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.583892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.583892 (E_RNA)
where:
Base-Base interactions energy: -148.986
where: short stacking energy: -81.423
Base-Backbone interact. energy: -0.003
local terms energy: -90.594464
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -130.839813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.839813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.839813 (E_RNA)
where:
Base-Base interactions energy: -50.903
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.166
local terms energy: -79.770630
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -122.030332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.030332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.030332 (E_RNA)
where:
Base-Base interactions energy: -60.024
where: short stacking energy: -42.198
Base-Backbone interact. energy: 0.049
local terms energy: -62.055056
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -118.030538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.030538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.030538 (E_RNA)
where:
Base-Base interactions energy: -66.822
where: short stacking energy: -26.210
Base-Backbone interact. energy: -1.409
local terms energy: -49.798886
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: 4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -126.844616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.844616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.844616 (E_RNA)
where:
Base-Base interactions energy: -60.986
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.172
local terms energy: -65.687220
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -10.180
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: 209
Temperature: 0.900000
Total energy: -315.994550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.994550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.994550 (E_RNA)
where:
Base-Base interactions energy: -210.921
where: short stacking energy: -99.621
Base-Backbone interact. energy: -1.247
local terms energy: -103.826689
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -27.905
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: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -327.200734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.200734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.200734 (E_RNA)
where:
Base-Base interactions energy: -222.202
where: short stacking energy: -97.224
Base-Backbone interact. energy: -0.118
local terms energy: -104.881309
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -26.272
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: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -306.685922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.685922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.685922 (E_RNA)
where:
Base-Base interactions energy: -208.554
where: short stacking energy: -90.110
Base-Backbone interact. energy: -0.516
local terms energy: -97.615894
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -25.932
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: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -245.610676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.610676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.610676 (E_RNA)
where:
Base-Base interactions energy: -152.026
where: short stacking energy: -81.746
Base-Backbone interact. energy: -0.395
local terms energy: -93.189756
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -242.578923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.578923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.578923 (E_RNA)
where:
Base-Base interactions energy: -150.575
where: short stacking energy: -73.547
Base-Backbone interact. energy: -0.068
local terms energy: -91.935945
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -23.735
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -16.429
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: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -220.830782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.830782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.830782 (E_RNA)
where:
Base-Base interactions energy: -130.453
where: short stacking energy: -79.439
Base-Backbone interact. energy: -0.129
local terms energy: -90.248398
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -135.256221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.256221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.256221 (E_RNA)
where:
Base-Base interactions energy: -61.849
where: short stacking energy: -61.849
Base-Backbone interact. energy: -0.011
local terms energy: -73.396255
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -17.285
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: 209
Temperature: 1.250000
Total energy: -112.905869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.905869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.905869 (E_RNA)
where:
Base-Base interactions energy: -51.362
where: short stacking energy: -37.669
Base-Backbone interact. energy: 1.048
local terms energy: -62.591088
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -2.957
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: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -126.022725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.022725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.022725 (E_RNA)
where:
Base-Base interactions energy: -58.875
where: short stacking energy: -29.557
Base-Backbone interact. energy: -0.198
local terms energy: -66.949828
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -7.664
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: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -117.609628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.609628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.609628 (E_RNA)
where:
Base-Base interactions energy: -48.796
where: short stacking energy: -40.380
Base-Backbone interact. energy: -0.544
local terms energy: -68.269995
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -316.398393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.398393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.398393 (E_RNA)
where:
Base-Base interactions energy: -211.034
where: short stacking energy: -93.385
Base-Backbone interact. energy: -0.119
local terms energy: -105.245041
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -26.449
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: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -303.039763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.039763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.039763 (E_RNA)
where:
Base-Base interactions energy: -203.623
where: short stacking energy: -102.194
Base-Backbone interact. energy: -0.826
local terms energy: -98.591095
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -22.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -306.593567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.593567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.593567 (E_RNA)
where:
Base-Base interactions energy: -204.266
where: short stacking energy: -87.924
Base-Backbone interact. energy: -1.347
local terms energy: -100.979688
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -24.500
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -25.115
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: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -238.436506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.436506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.436506 (E_RNA)
where:
Base-Base interactions energy: -140.723
where: short stacking energy: -78.611
Base-Backbone interact. energy: 0.285
local terms energy: -97.998464
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -227.331458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.331458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.331458 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -78.841
Base-Backbone interact. energy: 0.473
local terms energy: -90.357600
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -23.712
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -10.808
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: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -226.162386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.162386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.162386 (E_RNA)
where:
Base-Base interactions energy: -132.033
where: short stacking energy: -61.503
Base-Backbone interact. energy: 0.146
local terms energy: -94.276014
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -19.546
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -147.598129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.598129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.598129 (E_RNA)
where:
Base-Base interactions energy: -64.434
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.270
local terms energy: -82.894892
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -7.411
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: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -127.265719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.265719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.265719 (E_RNA)
where:
Base-Base interactions energy: -54.292
where: short stacking energy: -46.448
Base-Backbone interact. energy: -0.169
local terms energy: -72.804487
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -9.817
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: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -103.581865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.581865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.581865 (E_RNA)
where:
Base-Base interactions energy: -42.374
where: short stacking energy: -39.026
Base-Backbone interact. energy: 0.833
local terms energy: -62.040725
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -102.784256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.784256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.784256 (E_RNA)
where:
Base-Base interactions energy: -51.352
where: short stacking energy: -34.840
Base-Backbone interact. energy: -0.414
local terms energy: -51.018720
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: 9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -316.691617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.691617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.691617 (E_RNA)
where:
Base-Base interactions energy: -215.499
where: short stacking energy: -91.859
Base-Backbone interact. energy: 0.185
local terms energy: -101.377329
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -24.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -313.091600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.091600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.091600 (E_RNA)
where:
Base-Base interactions energy: -202.732
where: short stacking energy: -97.634
Base-Backbone interact. energy: 0.895
local terms energy: -111.254039
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -24.122
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: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -301.582572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.582572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.582572 (E_RNA)
where:
Base-Base interactions energy: -197.382
where: short stacking energy: -88.404
Base-Backbone interact. energy: -0.576
local terms energy: -103.624962
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -23.234
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: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -238.949521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.949521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.949521 (E_RNA)
where:
Base-Base interactions energy: -149.665
where: short stacking energy: -74.860
Base-Backbone interact. energy: -0.722
local terms energy: -88.562798
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -16.191
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: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -227.427350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.427350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.427350 (E_RNA)
where:
Base-Base interactions energy: -129.467
where: short stacking energy: -77.364
Base-Backbone interact. energy: -0.624
local terms energy: -97.336612
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -16.814
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: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -254.715325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.715325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.715325 (E_RNA)
where:
Base-Base interactions energy: -160.572
where: short stacking energy: -71.957
Base-Backbone interact. energy: -0.077
local terms energy: -94.066725
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -111.406509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.406509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.406509 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.211
local terms energy: -76.240100
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -111.781733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.781733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.781733 (E_RNA)
where:
Base-Base interactions energy: -42.103
where: short stacking energy: -39.201
Base-Backbone interact. energy: -0.089
local terms energy: -69.590461
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -1.728
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: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -126.464647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.464647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.464647 (E_RNA)
where:
Base-Base interactions energy: -56.157
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.074
local terms energy: -70.232973
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -100.823400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.823400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.823400 (E_RNA)
where:
Base-Base interactions energy: -30.159
where: short stacking energy: -30.159
Base-Backbone interact. energy: -0.268
local terms energy: -70.396347
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -0.117
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: 212
Temperature: 0.900000
Total energy: -319.859382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.859382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.859382 (E_RNA)
where:
Base-Base interactions energy: -211.812
where: short stacking energy: -96.980
Base-Backbone interact. energy: -0.149
local terms energy: -107.898535
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -24.421
flat angles P-C4'-P energy: -16.777
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: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -296.818736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.818736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.818736 (E_RNA)
where:
Base-Base interactions energy: -197.028
where: short stacking energy: -83.385
Base-Backbone interact. energy: -0.227
local terms energy: -99.564358
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -25.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -293.182650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.182650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.182650 (E_RNA)
where:
Base-Base interactions energy: -202.472
where: short stacking energy: -88.876
Base-Backbone interact. energy: -1.136
local terms energy: -89.574389
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -14.198
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: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -240.456339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.456339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.456339 (E_RNA)
where:
Base-Base interactions energy: -149.717
where: short stacking energy: -72.653
Base-Backbone interact. energy: -0.505
local terms energy: -90.234904
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -287.311130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.311130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.311130 (E_RNA)
where:
Base-Base interactions energy: -194.267
where: short stacking energy: -86.995
Base-Backbone interact. energy: -0.576
local terms energy: -92.468579
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -22.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -222.692944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.692944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.692944 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.073
local terms energy: -84.358012
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -122.536700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.536700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.536700 (E_RNA)
where:
Base-Base interactions energy: -51.150
where: short stacking energy: -50.927
Base-Backbone interact. energy: -0.325
local terms energy: -71.061100
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -11.250
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: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -123.381170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.381170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.381170 (E_RNA)
where:
Base-Base interactions energy: -50.612
where: short stacking energy: -44.123
Base-Backbone interact. energy: 0.021
local terms energy: -72.790329
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -122.272182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.272182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.272182 (E_RNA)
where:
Base-Base interactions energy: -59.925
where: short stacking energy: -41.745
Base-Backbone interact. energy: -0.188
local terms energy: -62.158960
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -6.798
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -7.905
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: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -106.823025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.823025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.823025 (E_RNA)
where:
Base-Base interactions energy: -39.292
where: short stacking energy: -27.301
Base-Backbone interact. energy: -0.509
local terms energy: -67.022229
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -4.242
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: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -325.962014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.962014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.962014 (E_RNA)
where:
Base-Base interactions energy: -215.982
where: short stacking energy: -102.021
Base-Backbone interact. energy: -0.005
local terms energy: -109.974224
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -25.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -300.702201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.702201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.702201 (E_RNA)
where:
Base-Base interactions energy: -213.499
where: short stacking energy: -95.947
Base-Backbone interact. energy: -1.523
local terms energy: -85.679930
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -21.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -289.132465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.132465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.132465 (E_RNA)
where:
Base-Base interactions energy: -186.679
where: short stacking energy: -79.245
Base-Backbone interact. energy: -0.393
local terms energy: -102.060571
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -26.389
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: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -281.284298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.284298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.284298 (E_RNA)
where:
Base-Base interactions energy: -177.959
where: short stacking energy: -79.406
Base-Backbone interact. energy: -0.081
local terms energy: -103.243587
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -17.500
tors. eta vs tors. theta energy: -25.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -203.168805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.168805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.168805 (E_RNA)
where:
Base-Base interactions energy: -123.355
where: short stacking energy: -70.869
Base-Backbone interact. energy: -0.817
local terms energy: -78.996847
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -13.859
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: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -223.701633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.701633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.701633 (E_RNA)
where:
Base-Base interactions energy: -133.936
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.256
local terms energy: -89.509644
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -118.132500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.132500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.132500 (E_RNA)
where:
Base-Base interactions energy: -59.657
where: short stacking energy: -44.167
Base-Backbone interact. energy: -1.057
local terms energy: -57.418540
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -7.008
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: 213
Temperature: 1.250000
Total energy: -110.145489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.145489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.145489 (E_RNA)
where:
Base-Base interactions energy: -40.737
where: short stacking energy: -39.415
Base-Backbone interact. energy: 0.324
local terms energy: -69.731929
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -14.950
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: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -117.530656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.530656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.530656 (E_RNA)
where:
Base-Base interactions energy: -45.220
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.416
local terms energy: -71.894430
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -108.388644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.388644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.388644 (E_RNA)
where:
Base-Base interactions energy: -45.285
where: short stacking energy: -42.627
Base-Backbone interact. energy: -0.090
local terms energy: -63.013157
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -7.787
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: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -320.457016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.457016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.457016 (E_RNA)
where:
Base-Base interactions energy: -213.414
where: short stacking energy: -94.795
Base-Backbone interact. energy: -0.590
local terms energy: -106.453335
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -24.141
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: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -299.954556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.954556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.954556 (E_RNA)
where:
Base-Base interactions energy: -202.122
where: short stacking energy: -87.705
Base-Backbone interact. energy: 0.919
local terms energy: -98.751611
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -294.536253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.536253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.536253 (E_RNA)
where:
Base-Base interactions energy: -187.920
where: short stacking energy: -75.242
Base-Backbone interact. energy: -0.271
local terms energy: -106.344907
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -25.379
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -24.213
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: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -279.442304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.442304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.442304 (E_RNA)
where:
Base-Base interactions energy: -179.667
where: short stacking energy: -75.840
Base-Backbone interact. energy: 0.047
local terms energy: -99.823049
where:
bonds (distance) C4'-P energy: -23.457
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -243.044530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.044530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.044530 (E_RNA)
where:
Base-Base interactions energy: -147.071
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.308
local terms energy: -95.665504
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -217.452424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.452424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.452424 (E_RNA)
where:
Base-Base interactions energy: -132.034
where: short stacking energy: -65.369
Base-Backbone interact. energy: -0.162
local terms energy: -85.256386
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -23.939
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -17.087
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: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -144.734237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.734237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.734237 (E_RNA)
where:
Base-Base interactions energy: -68.609
where: short stacking energy: -48.154
Base-Backbone interact. energy: -1.094
local terms energy: -75.030919
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -121.805853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.805853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.805853 (E_RNA)
where:
Base-Base interactions energy: -50.467
where: short stacking energy: -44.146
Base-Backbone interact. energy: -0.458
local terms energy: -70.880324
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -101.701679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.701679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.701679 (E_RNA)
where:
Base-Base interactions energy: -40.208
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.241
local terms energy: -61.251836
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: 1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -103.752935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.752935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.752935 (E_RNA)
where:
Base-Base interactions energy: -43.998
where: short stacking energy: -43.946
Base-Backbone interact. energy: 0.183
local terms energy: -59.938293
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -322.225938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.225938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.225938 (E_RNA)
where:
Base-Base interactions energy: -213.823
where: short stacking energy: -100.011
Base-Backbone interact. energy: -0.758
local terms energy: -107.644234
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -29.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -310.221430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.221430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.221430 (E_RNA)
where:
Base-Base interactions energy: -213.891
where: short stacking energy: -82.610
Base-Backbone interact. energy: -1.046
local terms energy: -95.283903
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -299.476231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.476231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.476231 (E_RNA)
where:
Base-Base interactions energy: -200.778
where: short stacking energy: -86.183
Base-Backbone interact. energy: -0.565
local terms energy: -98.133201
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -265.289350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.289350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.289350 (E_RNA)
where:
Base-Base interactions energy: -168.049
where: short stacking energy: -71.959
Base-Backbone interact. energy: -0.891
local terms energy: -96.348855
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -236.025324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.025324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.025324 (E_RNA)
where:
Base-Base interactions energy: -138.248
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.051
local terms energy: -97.726166
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -24.473
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: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -215.888387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.888387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.888387 (E_RNA)
where:
Base-Base interactions energy: -133.328
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.145
local terms energy: -82.415476
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -182.735452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.735452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.735452 (E_RNA)
where:
Base-Base interactions energy: -95.138
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.136
local terms energy: -87.461268
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -115.301016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.301016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.301016 (E_RNA)
where:
Base-Base interactions energy: -53.568
where: short stacking energy: -38.693
Base-Backbone interact. energy: -0.345
local terms energy: -61.388636
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -23.126
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -5.136
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: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -114.722522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.722522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.722522 (E_RNA)
where:
Base-Base interactions energy: -47.465
where: short stacking energy: -34.884
Base-Backbone interact. energy: 0.180
local terms energy: -67.437253
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -5.201
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: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -104.717372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.717372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.717372 (E_RNA)
where:
Base-Base interactions energy: -39.493
where: short stacking energy: -30.575
Base-Backbone interact. energy: 3.468
local terms energy: -68.691876
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -14.506
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: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -308.439638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.439638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.439638 (E_RNA)
where:
Base-Base interactions energy: -214.548
where: short stacking energy: -91.369
Base-Backbone interact. energy: -0.185
local terms energy: -93.706533
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -24.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -316.421249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.421249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.421249 (E_RNA)
where:
Base-Base interactions energy: -208.418
where: short stacking energy: -97.700
Base-Backbone interact. energy: 0.138
local terms energy: -108.141783
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -28.111
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: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -301.198625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.198625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.198625 (E_RNA)
where:
Base-Base interactions energy: -197.646
where: short stacking energy: -95.626
Base-Backbone interact. energy: -0.459
local terms energy: -103.092744
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -247.703450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.703450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.703450 (E_RNA)
where:
Base-Base interactions energy: -150.048
where: short stacking energy: -81.308
Base-Backbone interact. energy: -1.119
local terms energy: -96.536690
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -20.288
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: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -239.058094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.058094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.058094 (E_RNA)
where:
Base-Base interactions energy: -144.767
where: short stacking energy: -71.861
Base-Backbone interact. energy: -0.702
local terms energy: -93.589672
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -224.157542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.157542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.157542 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -69.071
Base-Backbone interact. energy: 0.640
local terms energy: -89.561300
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -184.466286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.466286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.466286 (E_RNA)
where:
Base-Base interactions energy: -107.995
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.303
local terms energy: -76.168755
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -133.230508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.230508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.230508 (E_RNA)
where:
Base-Base interactions energy: -57.926
where: short stacking energy: -35.645
Base-Backbone interact. energy: -0.004
local terms energy: -75.300981
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -8.370
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: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -103.086417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.086417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.086417 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -32.408
Base-Backbone interact. energy: 0.642
local terms energy: -70.434238
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -9.517
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -112.727100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.727100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.727100 (E_RNA)
where:
Base-Base interactions energy: -42.406
where: short stacking energy: -42.406
Base-Backbone interact. energy: -0.284
local terms energy: -70.037463
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -9.127
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: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -317.916987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.916987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.916987 (E_RNA)
where:
Base-Base interactions energy: -218.319
where: short stacking energy: -94.763
Base-Backbone interact. energy: -0.676
local terms energy: -98.922479
where:
bonds (distance) C4'-P energy: -20.143
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -14.106
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: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -312.485214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.485214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.485214 (E_RNA)
where:
Base-Base interactions energy: -214.828
where: short stacking energy: -94.839
Base-Backbone interact. energy: -0.267
local terms energy: -97.390342
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -11.209
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: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -296.879666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.879666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.879666 (E_RNA)
where:
Base-Base interactions energy: -196.825
where: short stacking energy: -89.432
Base-Backbone interact. energy: -0.389
local terms energy: -99.665780
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -22.811
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: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -245.524764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.524764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.524764 (E_RNA)
where:
Base-Base interactions energy: -151.276
where: short stacking energy: -73.202
Base-Backbone interact. energy: -0.077
local terms energy: -94.171580
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -19.609
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: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -239.177568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.177568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.177568 (E_RNA)
where:
Base-Base interactions energy: -139.659
where: short stacking energy: -80.293
Base-Backbone interact. energy: -0.211
local terms energy: -99.307364
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -23.576
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: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -206.633268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.633268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.633268 (E_RNA)
where:
Base-Base interactions energy: -122.962
where: short stacking energy: -56.809
Base-Backbone interact. energy: 0.965
local terms energy: -84.636863
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -9.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -217.004939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.004939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.004939 (E_RNA)
where:
Base-Base interactions energy: -136.975
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.299
local terms energy: -79.731114
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -17.683
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: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -119.747710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.747710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.747710 (E_RNA)
where:
Base-Base interactions energy: -45.463
where: short stacking energy: -37.145
Base-Backbone interact. energy: 1.796
local terms energy: -76.080783
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -99.525729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.525729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.525729 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.342
local terms energy: -65.997848
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: 7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -106.464101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.464101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.464101 (E_RNA)
where:
Base-Base interactions energy: -41.324
where: short stacking energy: -41.324
Base-Backbone interact. energy: -0.197
local terms energy: -64.943163
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -4.475
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: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -325.271681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.271681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.271681 (E_RNA)
where:
Base-Base interactions energy: -217.518
where: short stacking energy: -86.883
Base-Backbone interact. energy: -0.245
local terms energy: -107.508177
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -308.283243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.283243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.283243 (E_RNA)
where:
Base-Base interactions energy: -208.678
where: short stacking energy: -99.005
Base-Backbone interact. energy: -0.521
local terms energy: -99.084230
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -25.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -305.478889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.478889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.478889 (E_RNA)
where:
Base-Base interactions energy: -206.267
where: short stacking energy: -91.517
Base-Backbone interact. energy: -1.039
local terms energy: -98.173194
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -24.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -249.463319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.463319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.463319 (E_RNA)
where:
Base-Base interactions energy: -169.756
where: short stacking energy: -74.872
Base-Backbone interact. energy: -0.404
local terms energy: -79.303191
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -5.856
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: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -237.538581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.538581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.538581 (E_RNA)
where:
Base-Base interactions energy: -151.679
where: short stacking energy: -79.904
Base-Backbone interact. energy: 0.782
local terms energy: -86.641662
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -210.675010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.675010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.675010 (E_RNA)
where:
Base-Base interactions energy: -132.402
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.287
local terms energy: -77.986186
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -9.490
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: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -206.394968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.394968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.394968 (E_RNA)
where:
Base-Base interactions energy: -120.125
where: short stacking energy: -71.185
Base-Backbone interact. energy: -0.032
local terms energy: -86.238893
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -18.420
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: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -139.941913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.941913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.941913 (E_RNA)
where:
Base-Base interactions energy: -62.816
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.469
local terms energy: -76.657540
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -6.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -106.463214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.463214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.463214 (E_RNA)
where:
Base-Base interactions energy: -44.727
where: short stacking energy: -43.197
Base-Backbone interact. energy: -0.364
local terms energy: -61.372659
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -122.873625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.873625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.873625 (E_RNA)
where:
Base-Base interactions energy: -56.507
where: short stacking energy: -37.685
Base-Backbone interact. energy: -0.605
local terms energy: -65.760700
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -0.946
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: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -328.809202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.809202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.809202 (E_RNA)
where:
Base-Base interactions energy: -220.189
where: short stacking energy: -101.881
Base-Backbone interact. energy: -0.024
local terms energy: -108.595830
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -28.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -314.902576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.902576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.902576 (E_RNA)
where:
Base-Base interactions energy: -215.811
where: short stacking energy: -94.774
Base-Backbone interact. energy: -0.188
local terms energy: -98.903312
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -15.561
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: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -303.487908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.487908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.487908 (E_RNA)
where:
Base-Base interactions energy: -200.430
where: short stacking energy: -86.088
Base-Backbone interact. energy: -0.665
local terms energy: -102.392711
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -236.688400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.688400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.688400 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -88.141
Base-Backbone interact. energy: 0.788
local terms energy: -87.750142
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -25.161
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: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -269.574134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.574134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.574134 (E_RNA)
where:
Base-Base interactions energy: -173.528
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.201
local terms energy: -95.844839
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -223.841799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841799 (E_RNA)
where:
Base-Base interactions energy: -137.627
where: short stacking energy: -69.359
Base-Backbone interact. energy: -0.161
local terms energy: -86.053172
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -203.310295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.310295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.310295 (E_RNA)
where:
Base-Base interactions energy: -131.422
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.202
local terms energy: -71.685441
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -112.350837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.350837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.350837 (E_RNA)
where:
Base-Base interactions energy: -35.747
where: short stacking energy: -29.191
Base-Backbone interact. energy: 0.834
local terms energy: -77.438029
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -114.766489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.766489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.766489 (E_RNA)
where:
Base-Base interactions energy: -44.963
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.785
local terms energy: -69.019383
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -6.914
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: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -98.277272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.277272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.277272 (E_RNA)
where:
Base-Base interactions energy: -33.709
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.534
local terms energy: -64.034026
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -0.652
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: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -326.248055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.248055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.248055 (E_RNA)
where:
Base-Base interactions energy: -220.033
where: short stacking energy: -99.110
Base-Backbone interact. energy: -0.142
local terms energy: -106.073397
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -24.141
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: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -322.484274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.484274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.484274 (E_RNA)
where:
Base-Base interactions energy: -220.761
where: short stacking energy: -91.920
Base-Backbone interact. energy: -0.125
local terms energy: -101.597873
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -303.419678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.419678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.419678 (E_RNA)
where:
Base-Base interactions energy: -204.214
where: short stacking energy: -89.608
Base-Backbone interact. energy: -0.218
local terms energy: -98.987770
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -248.684768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.684768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.684768 (E_RNA)
where:
Base-Base interactions energy: -152.624
where: short stacking energy: -94.327
Base-Backbone interact. energy: 1.052
local terms energy: -97.112377
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -24.860
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: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -254.034115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.034115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.034115 (E_RNA)
where:
Base-Base interactions energy: -169.786
where: short stacking energy: -74.255
Base-Backbone interact. energy: -0.223
local terms energy: -84.025350
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -206.312552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.312552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.312552 (E_RNA)
where:
Base-Base interactions energy: -122.984
where: short stacking energy: -63.363
Base-Backbone interact. energy: -0.462
local terms energy: -82.866644
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -15.172
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: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -139.224195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.224195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.224195 (E_RNA)
where:
Base-Base interactions energy: -66.315
where: short stacking energy: -48.550
Base-Backbone interact. energy: -0.150
local terms energy: -72.758513
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -8.605
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: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -205.746774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.746774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.746774 (E_RNA)
where:
Base-Base interactions energy: -134.737
where: short stacking energy: -69.176
Base-Backbone interact. energy: 0.854
local terms energy: -71.863620
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -100.895417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.895417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.895417 (E_RNA)
where:
Base-Base interactions energy: -25.019
where: short stacking energy: -20.949
Base-Backbone interact. energy: -0.514
local terms energy: -75.362336
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -116.668769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.668769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.668769 (E_RNA)
where:
Base-Base interactions energy: -41.470
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.177
local terms energy: -75.022234
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -318.025428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.025428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.025428 (E_RNA)
where:
Base-Base interactions energy: -217.120
where: short stacking energy: -96.578
Base-Backbone interact. energy: 1.935
local terms energy: -102.840116
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -26.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -321.794720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.794720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.794720 (E_RNA)
where:
Base-Base interactions energy: -218.011
where: short stacking energy: -102.820
Base-Backbone interact. energy: -0.213
local terms energy: -103.570333
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -297.528596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.528596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.528596 (E_RNA)
where:
Base-Base interactions energy: -204.713
where: short stacking energy: -89.742
Base-Backbone interact. energy: -0.567
local terms energy: -92.248250
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -255.491879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.491879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.491879 (E_RNA)
where:
Base-Base interactions energy: -165.651
where: short stacking energy: -70.964
Base-Backbone interact. energy: -0.931
local terms energy: -88.909221
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -239.016468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.016468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.016468 (E_RNA)
where:
Base-Base interactions energy: -153.901
where: short stacking energy: -77.402
Base-Backbone interact. energy: -0.349
local terms energy: -84.766727
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -127.728877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.728877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.728877 (E_RNA)
where:
Base-Base interactions energy: -56.177
where: short stacking energy: -48.942
Base-Backbone interact. energy: -0.157
local terms energy: -71.395517
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -202.188435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.188435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.188435 (E_RNA)
where:
Base-Base interactions energy: -112.701
where: short stacking energy: -67.783
Base-Backbone interact. energy: -0.103
local terms energy: -89.384298
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -212.430294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.430294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.430294 (E_RNA)
where:
Base-Base interactions energy: -132.414
where: short stacking energy: -69.366
Base-Backbone interact. energy: -0.004
local terms energy: -80.012028
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -108.973336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.973336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.973336 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -28.004
Base-Backbone interact. energy: 0.526
local terms energy: -74.176561
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: 1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -114.391018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.391018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.391018 (E_RNA)
where:
Base-Base interactions energy: -46.276
where: short stacking energy: -42.560
Base-Backbone interact. energy: -0.275
local terms energy: -67.839571
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -8.075
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: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -325.167251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.167251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.167251 (E_RNA)
where:
Base-Base interactions energy: -223.233
where: short stacking energy: -88.557
Base-Backbone interact. energy: -1.052
local terms energy: -100.882595
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -25.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -305.167657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.167657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.167657 (E_RNA)
where:
Base-Base interactions energy: -198.181
where: short stacking energy: -87.573
Base-Backbone interact. energy: 0.534
local terms energy: -107.520005
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -23.799
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: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -297.346584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.346584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.346584 (E_RNA)
where:
Base-Base interactions energy: -201.429
where: short stacking energy: -83.797
Base-Backbone interact. energy: 0.245
local terms energy: -96.162893
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -8.978
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: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -283.318967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.318967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.318967 (E_RNA)
where:
Base-Base interactions energy: -186.084
where: short stacking energy: -74.111
Base-Backbone interact. energy: -1.174
local terms energy: -96.060475
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -20.891
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: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -238.240963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.240963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.240963 (E_RNA)
where:
Base-Base interactions energy: -138.145
where: short stacking energy: -81.733
Base-Backbone interact. energy: -0.413
local terms energy: -99.682816
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -22.576
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: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -127.951261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.951261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.951261 (E_RNA)
where:
Base-Base interactions energy: -53.195
where: short stacking energy: -42.247
Base-Backbone interact. energy: -0.027
local terms energy: -74.729580
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -223.094429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.094429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.094429 (E_RNA)
where:
Base-Base interactions energy: -153.342
where: short stacking energy: -77.357
Base-Backbone interact. energy: -0.171
local terms energy: -69.581658
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: 0.040
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -168.046298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.046298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.046298 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -43.719
Base-Backbone interact. energy: -0.170
local terms energy: -70.833939
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -11.413
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: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -107.828003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.828003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.828003 (E_RNA)
where:
Base-Base interactions energy: -44.005
where: short stacking energy: -43.303
Base-Backbone interact. energy: 0.856
local terms energy: -64.678605
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -10.745
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: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -114.659391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.659391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.659391 (E_RNA)
where:
Base-Base interactions energy: -51.783
where: short stacking energy: -31.572
Base-Backbone interact. energy: -0.508
local terms energy: -62.367667
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -328.758570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.758570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.758570 (E_RNA)
where:
Base-Base interactions energy: -228.332
where: short stacking energy: -93.054
Base-Backbone interact. energy: -0.215
local terms energy: -100.211074
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -22.331
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -22.323
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: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -311.016180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.016180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.016180 (E_RNA)
where:
Base-Base interactions energy: -206.651
where: short stacking energy: -93.243
Base-Backbone interact. energy: 1.573
local terms energy: -105.937992
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -304.716742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.716742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.716742 (E_RNA)
where:
Base-Base interactions energy: -207.262
where: short stacking energy: -79.915
Base-Backbone interact. energy: -0.576
local terms energy: -96.878398
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -283.263354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.263354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.263354 (E_RNA)
where:
Base-Base interactions energy: -188.952
where: short stacking energy: -85.014
Base-Backbone interact. energy: -0.286
local terms energy: -94.025410
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -237.450567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.450567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.450567 (E_RNA)
where:
Base-Base interactions energy: -136.395
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.390
local terms energy: -100.665811
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -236.936061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.936061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.936061 (E_RNA)
where:
Base-Base interactions energy: -149.539
where: short stacking energy: -79.006
Base-Backbone interact. energy: -0.108
local terms energy: -87.289110
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -133.811495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.811495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.811495 (E_RNA)
where:
Base-Base interactions energy: -50.505
where: short stacking energy: -50.505
Base-Backbone interact. energy: -0.088
local terms energy: -83.218521
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -12.567
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: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -155.466742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.466742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.466742 (E_RNA)
where:
Base-Base interactions energy: -81.016
where: short stacking energy: -51.458
Base-Backbone interact. energy: -0.523
local terms energy: -73.927743
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -111.301945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.301945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.301945 (E_RNA)
where:
Base-Base interactions energy: -42.792
where: short stacking energy: -40.225
Base-Backbone interact. energy: -0.233
local terms energy: -68.276785
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -110.318538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.318538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.318538 (E_RNA)
where:
Base-Base interactions energy: -38.972
where: short stacking energy: -38.972
Base-Backbone interact. energy: 1.819
local terms energy: -73.165809
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -335.205487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.205487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.205487 (E_RNA)
where:
Base-Base interactions energy: -230.616
where: short stacking energy: -97.969
Base-Backbone interact. energy: -0.223
local terms energy: -104.366534
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -24.096
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: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -314.431148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.431148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.431148 (E_RNA)
where:
Base-Base interactions energy: -209.019
where: short stacking energy: -90.011
Base-Backbone interact. energy: -0.075
local terms energy: -105.336565
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -26.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -293.708960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.708960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.708960 (E_RNA)
where:
Base-Base interactions energy: -188.939
where: short stacking energy: -84.629
Base-Backbone interact. energy: -0.832
local terms energy: -103.938226
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -18.481
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: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -292.894380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.894380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.894380 (E_RNA)
where:
Base-Base interactions energy: -195.281
where: short stacking energy: -87.240
Base-Backbone interact. energy: -0.095
local terms energy: -97.517728
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -244.672913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.672913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.672913 (E_RNA)
where:
Base-Base interactions energy: -141.862
where: short stacking energy: -81.307
Base-Backbone interact. energy: -0.082
local terms energy: -102.728942
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -24.902
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: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -230.794052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.794052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.794052 (E_RNA)
where:
Base-Base interactions energy: -129.799
where: short stacking energy: -75.710
Base-Backbone interact. energy: -0.090
local terms energy: -100.905497
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -162.762103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.762103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.762103 (E_RNA)
where:
Base-Base interactions energy: -83.755
where: short stacking energy: -48.457
Base-Backbone interact. energy: -0.284
local terms energy: -78.722992
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -110.523354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.523354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.523354 (E_RNA)
where:
Base-Base interactions energy: -38.652
where: short stacking energy: -37.687
Base-Backbone interact. energy: 0.223
local terms energy: -72.094159
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -117.075384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.075384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.075384 (E_RNA)
where:
Base-Base interactions energy: -48.084
where: short stacking energy: -48.084
Base-Backbone interact. energy: -0.165
local terms energy: -68.826027
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -109.547019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.547019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.547019 (E_RNA)
where:
Base-Base interactions energy: -56.231
where: short stacking energy: -35.050
Base-Backbone interact. energy: 1.865
local terms energy: -55.181137
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -328.895903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.895903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.895903 (E_RNA)
where:
Base-Base interactions energy: -218.732
where: short stacking energy: -96.740
Base-Backbone interact. energy: -0.146
local terms energy: -110.017752
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -28.819
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: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -319.030911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.030911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.030911 (E_RNA)
where:
Base-Base interactions energy: -218.960
where: short stacking energy: -107.099
Base-Backbone interact. energy: 0.029
local terms energy: -100.099889
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -305.733820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.733820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.733820 (E_RNA)
where:
Base-Base interactions energy: -204.807
where: short stacking energy: -87.951
Base-Backbone interact. energy: -0.233
local terms energy: -100.693691
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -26.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -282.981086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.981086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.981086 (E_RNA)
where:
Base-Base interactions energy: -189.636
where: short stacking energy: -78.243
Base-Backbone interact. energy: -0.978
local terms energy: -92.367239
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -12.887
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -234.464635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.464635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.464635 (E_RNA)
where:
Base-Base interactions energy: -151.076
where: short stacking energy: -79.068
Base-Backbone interact. energy: -0.920
local terms energy: -82.468607
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -221.799419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799419 (E_RNA)
where:
Base-Base interactions energy: -139.715
where: short stacking energy: -73.902
Base-Backbone interact. energy: -0.102
local terms energy: -81.982052
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -132.853252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.853252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.853252 (E_RNA)
where:
Base-Base interactions energy: -54.964
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.085
local terms energy: -77.803383
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -114.699197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.699197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.699197 (E_RNA)
where:
Base-Base interactions energy: -47.231
where: short stacking energy: -46.824
Base-Backbone interact. energy: -0.085
local terms energy: -67.383023
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -112.623885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.623885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.623885 (E_RNA)
where:
Base-Base interactions energy: -46.684
where: short stacking energy: -35.987
Base-Backbone interact. energy: -0.099
local terms energy: -65.840669
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -98.651499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.651499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.651499 (E_RNA)
where:
Base-Base interactions energy: -33.250
where: short stacking energy: -22.595
Base-Backbone interact. energy: -0.385
local terms energy: -65.016669
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -3.907
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: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -315.409638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.409638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.409638 (E_RNA)
where:
Base-Base interactions energy: -212.351
where: short stacking energy: -100.240
Base-Backbone interact. energy: -0.167
local terms energy: -102.891457
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -24.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -320.295320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.295320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.295320 (E_RNA)
where:
Base-Base interactions energy: -204.571
where: short stacking energy: -95.451
Base-Backbone interact. energy: -0.215
local terms energy: -115.510049
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -28.483
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: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -297.524703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.524703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.524703 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -76.708
Base-Backbone interact. energy: -1.486
local terms energy: -100.126194
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -23.602
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: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -266.315716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.315716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.315716 (E_RNA)
where:
Base-Base interactions energy: -181.125
where: short stacking energy: -82.367
Base-Backbone interact. energy: -0.891
local terms energy: -84.299792
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -24.107
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: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -243.364589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.364589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.364589 (E_RNA)
where:
Base-Base interactions energy: -155.583
where: short stacking energy: -82.184
Base-Backbone interact. energy: -0.236
local terms energy: -87.545264
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -21.481
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: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -226.943134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.943134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.943134 (E_RNA)
where:
Base-Base interactions energy: -136.623
where: short stacking energy: -72.733
Base-Backbone interact. energy: -0.216
local terms energy: -90.104873
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -134.077831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.077831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.077831 (E_RNA)
where:
Base-Base interactions energy: -51.318
where: short stacking energy: -51.318
Base-Backbone interact. energy: -0.003
local terms energy: -82.756351
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -117.070194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.070194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.070194 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.098
local terms energy: -83.654797
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -106.393166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.393166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.393166 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -28.068
Base-Backbone interact. energy: 0.963
local terms energy: -71.561531
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -97.632616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.632616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.632616 (E_RNA)
where:
Base-Base interactions energy: -32.033
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.947
local terms energy: -64.653013
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: 0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -312.827270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.827270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.827270 (E_RNA)
where:
Base-Base interactions energy: -204.124
where: short stacking energy: -88.269
Base-Backbone interact. energy: -0.593
local terms energy: -108.109989
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -316.881358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.881358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.881358 (E_RNA)
where:
Base-Base interactions energy: -218.732
where: short stacking energy: -93.347
Base-Backbone interact. energy: -0.823
local terms energy: -97.326843
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -299.938985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.938985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.938985 (E_RNA)
where:
Base-Base interactions energy: -194.665
where: short stacking energy: -77.543
Base-Backbone interact. energy: -0.229
local terms energy: -105.044693
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -23.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -262.704809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.704809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.704809 (E_RNA)
where:
Base-Base interactions energy: -171.885
where: short stacking energy: -79.338
Base-Backbone interact. energy: -0.221
local terms energy: -90.599136
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -17.919
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: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -226.440439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.440439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.440439 (E_RNA)
where:
Base-Base interactions energy: -140.397
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.048
local terms energy: -85.994658
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -6.633
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: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -216.876684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.876684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.876684 (E_RNA)
where:
Base-Base interactions energy: -123.760
where: short stacking energy: -57.693
Base-Backbone interact. energy: -0.317
local terms energy: -92.799704
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -121.381338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.381338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.381338 (E_RNA)
where:
Base-Base interactions energy: -42.344
where: short stacking energy: -37.991
Base-Backbone interact. energy: -0.090
local terms energy: -78.947813
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -5.517
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: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -131.330462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.330462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.330462 (E_RNA)
where:
Base-Base interactions energy: -55.686
where: short stacking energy: -50.320
Base-Backbone interact. energy: -0.242
local terms energy: -75.401919
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -114.991378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.991378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.991378 (E_RNA)
where:
Base-Base interactions energy: -48.237
where: short stacking energy: -38.040
Base-Backbone interact. energy: 2.807
local terms energy: -69.560694
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -7.155
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: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -105.873977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873977 (E_RNA)
where:
Base-Base interactions energy: -41.724
where: short stacking energy: -36.954
Base-Backbone interact. energy: -0.541
local terms energy: -63.608901
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -326.119205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.119205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.119205 (E_RNA)
where:
Base-Base interactions energy: -222.088
where: short stacking energy: -96.118
Base-Backbone interact. energy: -0.823
local terms energy: -103.208412
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -306.674629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.674629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.674629 (E_RNA)
where:
Base-Base interactions energy: -201.036
where: short stacking energy: -96.173
Base-Backbone interact. energy: -0.104
local terms energy: -105.534584
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -260.605031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.605031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.605031 (E_RNA)
where:
Base-Base interactions energy: -170.712
where: short stacking energy: -70.359
Base-Backbone interact. energy: -0.453
local terms energy: -89.439811
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -15.332
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: 228
Temperature: 1.050000
Total energy: -292.056607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.056607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.056607 (E_RNA)
where:
Base-Base interactions energy: -201.296
where: short stacking energy: -87.034
Base-Backbone interact. energy: -0.333
local terms energy: -90.427719
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -18.133
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: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -236.245634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.245634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.245634 (E_RNA)
where:
Base-Base interactions energy: -137.117
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.526
local terms energy: -98.602191
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -218.448556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.448556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.448556 (E_RNA)
where:
Base-Base interactions energy: -121.798
where: short stacking energy: -68.816
Base-Backbone interact. energy: 1.140
local terms energy: -97.790029
where:
bonds (distance) C4'-P energy: -24.288
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -15.184
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: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -136.748315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.748315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.748315 (E_RNA)
where:
Base-Base interactions energy: -74.867
where: short stacking energy: -48.061
Base-Backbone interact. energy: -0.054
local terms energy: -61.826561
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -120.656949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.656949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.656949 (E_RNA)
where:
Base-Base interactions energy: -55.371
where: short stacking energy: -37.850
Base-Backbone interact. energy: -0.772
local terms energy: -64.513958
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -104.351759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.351759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.351759 (E_RNA)
where:
Base-Base interactions energy: -36.391
where: short stacking energy: -33.247
Base-Backbone interact. energy: -0.161
local terms energy: -67.800404
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -2.111
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: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -112.830616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.830616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.830616 (E_RNA)
where:
Base-Base interactions energy: -57.753
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.299
local terms energy: -54.778422
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: 3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -329.359876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.359876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.359876 (E_RNA)
where:
Base-Base interactions energy: -224.710
where: short stacking energy: -99.936
Base-Backbone interact. energy: -0.201
local terms energy: -104.449030
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -304.063909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.063909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.063909 (E_RNA)
where:
Base-Base interactions energy: -213.128
where: short stacking energy: -90.441
Base-Backbone interact. energy: -1.000
local terms energy: -89.936774
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -289.929096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.929096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.929096 (E_RNA)
where:
Base-Base interactions energy: -185.954
where: short stacking energy: -76.756
Base-Backbone interact. energy: -1.295
local terms energy: -102.679468
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -24.317
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: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -291.814254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.814254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.814254 (E_RNA)
where:
Base-Base interactions energy: -198.422
where: short stacking energy: -93.623
Base-Backbone interact. energy: -0.747
local terms energy: -92.644903
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -25.947
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: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -236.660789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.660789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.660789 (E_RNA)
where:
Base-Base interactions energy: -143.777
where: short stacking energy: -72.446
Base-Backbone interact. energy: -1.014
local terms energy: -91.870338
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -15.175
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: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -137.391669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.391669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.391669 (E_RNA)
where:
Base-Base interactions energy: -65.276
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.244
local terms energy: -71.871070
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -12.606
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: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -220.405363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.405363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.405363 (E_RNA)
where:
Base-Base interactions energy: -131.846
where: short stacking energy: -73.258
Base-Backbone interact. energy: -0.322
local terms energy: -88.237120
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -19.770
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -115.564580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.564580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.564580 (E_RNA)
where:
Base-Base interactions energy: -44.629
where: short stacking energy: -32.750
Base-Backbone interact. energy: 0.209
local terms energy: -71.143999
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -111.082178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.082178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.082178 (E_RNA)
where:
Base-Base interactions energy: -35.144
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.132
local terms energy: -75.805819
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -118.299854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.299854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.299854 (E_RNA)
where:
Base-Base interactions energy: -46.500
where: short stacking energy: -36.576
Base-Backbone interact. energy: -0.206
local terms energy: -71.594019
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -12.027
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: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -304.728495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.728495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.728495 (E_RNA)
where:
Base-Base interactions energy: -203.106
where: short stacking energy: -95.446
Base-Backbone interact. energy: -0.441
local terms energy: -101.181902
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -26.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -313.208683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.208683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.208683 (E_RNA)
where:
Base-Base interactions energy: -201.886
where: short stacking energy: -87.032
Base-Backbone interact. energy: 0.380
local terms energy: -111.702500
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -27.419
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: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -289.133038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.133038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.133038 (E_RNA)
where:
Base-Base interactions energy: -191.722
where: short stacking energy: -84.147
Base-Backbone interact. energy: -0.573
local terms energy: -96.837858
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -288.529099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.529099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.529099 (E_RNA)
where:
Base-Base interactions energy: -192.705
where: short stacking energy: -89.824
Base-Backbone interact. energy: -0.872
local terms energy: -94.952222
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -14.721
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: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -228.783991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.783991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.783991 (E_RNA)
where:
Base-Base interactions energy: -134.902
where: short stacking energy: -71.579
Base-Backbone interact. energy: -0.009
local terms energy: -93.872593
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -144.676367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.676367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.676367 (E_RNA)
where:
Base-Base interactions energy: -68.191
where: short stacking energy: -50.247
Base-Backbone interact. energy: -0.110
local terms energy: -76.376200
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -10.693
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: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -123.597644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.597644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.597644 (E_RNA)
where:
Base-Base interactions energy: -49.012
where: short stacking energy: -44.880
Base-Backbone interact. energy: -0.474
local terms energy: -74.111913
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -4.641
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: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -210.374569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.374569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.374569 (E_RNA)
where:
Base-Base interactions energy: -123.995
where: short stacking energy: -69.968
Base-Backbone interact. energy: 1.971
local terms energy: -88.350671
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -116.561895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.561895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.561895 (E_RNA)
where:
Base-Base interactions energy: -50.040
where: short stacking energy: -40.214
Base-Backbone interact. energy: 1.538
local terms energy: -68.059719
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -13.013
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: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -112.614613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.614613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.614613 (E_RNA)
where:
Base-Base interactions energy: -41.976
where: short stacking energy: -38.704
Base-Backbone interact. energy: -0.350
local terms energy: -70.288628
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -10.666
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: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -318.186627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.186627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.186627 (E_RNA)
where:
Base-Base interactions energy: -211.633
where: short stacking energy: -98.672
Base-Backbone interact. energy: -0.355
local terms energy: -106.198512
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -27.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -304.262906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.262906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.262906 (E_RNA)
where:
Base-Base interactions energy: -210.038
where: short stacking energy: -91.815
Base-Backbone interact. energy: 0.217
local terms energy: -94.441462
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -22.093
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: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -293.420735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.420735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.420735 (E_RNA)
where:
Base-Base interactions energy: -194.400
where: short stacking energy: -93.836
Base-Backbone interact. energy: -0.987
local terms energy: -98.034533
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -9.843
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: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -311.852953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.852953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.852953 (E_RNA)
where:
Base-Base interactions energy: -211.702
where: short stacking energy: -83.708
Base-Backbone interact. energy: 1.327
local terms energy: -101.477717
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -26.677
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: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -189.132660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.132660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.132660 (E_RNA)
where:
Base-Base interactions energy: -103.922
where: short stacking energy: -59.163
Base-Backbone interact. energy: 0.446
local terms energy: -85.656316
where:
bonds (distance) C4'-P energy: -23.066
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -127.620598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.620598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.620598 (E_RNA)
where:
Base-Base interactions energy: -64.771
where: short stacking energy: -41.213
Base-Backbone interact. energy: -0.231
local terms energy: -62.618404
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -140.944375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.944375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.944375 (E_RNA)
where:
Base-Base interactions energy: -69.794
where: short stacking energy: -56.064
Base-Backbone interact. energy: -0.088
local terms energy: -71.061967
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -158.943534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.943534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.943534 (E_RNA)
where:
Base-Base interactions energy: -73.805
where: short stacking energy: -50.797
Base-Backbone interact. energy: -1.915
local terms energy: -83.223363
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -11.334
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: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -103.639124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.639124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.639124 (E_RNA)
where:
Base-Base interactions energy: -42.885
where: short stacking energy: -39.397
Base-Backbone interact. energy: -0.433
local terms energy: -60.321486
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -109.233472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.233472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.233472 (E_RNA)
where:
Base-Base interactions energy: -47.817
where: short stacking energy: -25.975
Base-Backbone interact. energy: -0.252
local terms energy: -61.164137
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -307.579567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.579567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.579567 (E_RNA)
where:
Base-Base interactions energy: -207.864
where: short stacking energy: -93.989
Base-Backbone interact. energy: -0.683
local terms energy: -99.031917
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -308.680198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.680198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.680198 (E_RNA)
where:
Base-Base interactions energy: -207.934
where: short stacking energy: -91.732
Base-Backbone interact. energy: -0.089
local terms energy: -100.657972
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -26.323
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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -282.941525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.941525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.941525 (E_RNA)
where:
Base-Base interactions energy: -184.730
where: short stacking energy: -88.044
Base-Backbone interact. energy: -0.646
local terms energy: -97.565630
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -25.176
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -299.735690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.735690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.735690 (E_RNA)
where:
Base-Base interactions energy: -200.623
where: short stacking energy: -96.291
Base-Backbone interact. energy: -0.516
local terms energy: -98.596189
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -28.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -178.943683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.943683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.943683 (E_RNA)
where:
Base-Base interactions energy: -96.688
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.715
local terms energy: -81.541038
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -179.133057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.133057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.133057 (E_RNA)
where:
Base-Base interactions energy: -99.956
where: short stacking energy: -58.890
Base-Backbone interact. energy: -1.033
local terms energy: -78.144214
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -123.687257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.687257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.687257 (E_RNA)
where:
Base-Base interactions energy: -56.456
where: short stacking energy: -34.053
Base-Backbone interact. energy: 3.227
local terms energy: -70.458617
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -2.745
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: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -127.816186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.816186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.816186 (E_RNA)
where:
Base-Base interactions energy: -57.927
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.367
local terms energy: -69.522580
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -10.364
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: 232
Temperature: 1.300000
Total energy: -112.219324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.219324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.219324 (E_RNA)
where:
Base-Base interactions energy: -44.527
where: short stacking energy: -28.657
Base-Backbone interact. energy: -0.429
local terms energy: -67.263694
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -2.287
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: 232
Temperature: 1.350000
Total energy: -107.730152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.730152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.730152 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -35.252
Base-Backbone interact. energy: -0.172
local terms energy: -69.908819
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -322.774272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.774272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.774272 (E_RNA)
where:
Base-Base interactions energy: -213.613
where: short stacking energy: -87.664
Base-Backbone interact. energy: -1.497
local terms energy: -107.664441
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -315.310376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.310376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.310376 (E_RNA)
where:
Base-Base interactions energy: -201.967
where: short stacking energy: -97.342
Base-Backbone interact. energy: -0.053
local terms energy: -113.289842
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -30.491
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: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -281.272441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.272441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.272441 (E_RNA)
where:
Base-Base interactions energy: -181.045
where: short stacking energy: -74.654
Base-Backbone interact. energy: -0.086
local terms energy: -100.140724
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -293.367549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.367549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.367549 (E_RNA)
where:
Base-Base interactions energy: -196.538
where: short stacking energy: -82.566
Base-Backbone interact. energy: -0.288
local terms energy: -96.541373
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -17.280
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: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -191.637612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.637612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.637612 (E_RNA)
where:
Base-Base interactions energy: -108.761
where: short stacking energy: -63.413
Base-Backbone interact. energy: 0.109
local terms energy: -82.985341
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -118.550687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.550687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.550687 (E_RNA)
where:
Base-Base interactions energy: -55.360
where: short stacking energy: -43.501
Base-Backbone interact. energy: -0.264
local terms energy: -62.926686
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -125.231479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.231479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.231479 (E_RNA)
where:
Base-Base interactions energy: -61.993
where: short stacking energy: -44.444
Base-Backbone interact. energy: -0.890
local terms energy: -62.348734
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -126.531792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.531792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.531792 (E_RNA)
where:
Base-Base interactions energy: -57.349
where: short stacking energy: -48.367
Base-Backbone interact. energy: -0.045
local terms energy: -69.137824
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -110.376064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.376064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.376064 (E_RNA)
where:
Base-Base interactions energy: -42.850
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.092
local terms energy: -67.433821
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -5.382
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: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -98.942182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.942182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.942182 (E_RNA)
where:
Base-Base interactions energy: -36.562
where: short stacking energy: -36.562
Base-Backbone interact. energy: -0.280
local terms energy: -62.100835
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -319.054249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.054249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.054249 (E_RNA)
where:
Base-Base interactions energy: -212.018
where: short stacking energy: -107.210
Base-Backbone interact. energy: -0.576
local terms energy: -106.460829
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -26.611
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: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -307.459588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.459588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.459588 (E_RNA)
where:
Base-Base interactions energy: -204.444
where: short stacking energy: -90.325
Base-Backbone interact. energy: -0.676
local terms energy: -102.338679
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -25.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -304.612790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.612790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.612790 (E_RNA)
where:
Base-Base interactions energy: -206.944
where: short stacking energy: -86.306
Base-Backbone interact. energy: -0.693
local terms energy: -96.975760
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -278.448529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.448529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.448529 (E_RNA)
where:
Base-Base interactions energy: -182.484
where: short stacking energy: -79.848
Base-Backbone interact. energy: -1.138
local terms energy: -94.827090
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -210.163290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.163290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.163290 (E_RNA)
where:
Base-Base interactions energy: -127.515
where: short stacking energy: -68.398
Base-Backbone interact. energy: 6.556
local terms energy: -89.204562
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -13.066
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: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -144.582171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.582171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.582171 (E_RNA)
where:
Base-Base interactions energy: -60.917
where: short stacking energy: -44.142
Base-Backbone interact. energy: -0.317
local terms energy: -83.347738
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -13.414
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: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -123.672704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.672704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.672704 (E_RNA)
where:
Base-Base interactions energy: -47.360
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.622
local terms energy: -75.690277
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -127.493152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.493152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.493152 (E_RNA)
where:
Base-Base interactions energy: -64.449
where: short stacking energy: -34.756
Base-Backbone interact. energy: -0.062
local terms energy: -62.981677
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: 3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -114.071539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.071539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.071539 (E_RNA)
where:
Base-Base interactions energy: -45.281
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.786
local terms energy: -68.004860
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -93.865559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.865559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.865559 (E_RNA)
where:
Base-Base interactions energy: -25.376
where: short stacking energy: -25.376
Base-Backbone interact. energy: 3.410
local terms energy: -71.899887
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -322.695373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.695373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.695373 (E_RNA)
where:
Base-Base interactions energy: -215.522
where: short stacking energy: -102.864
Base-Backbone interact. energy: -0.213
local terms energy: -106.960003
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -298.653516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.653516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.653516 (E_RNA)
where:
Base-Base interactions energy: -197.389
where: short stacking energy: -87.240
Base-Backbone interact. energy: -0.328
local terms energy: -100.936217
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -20.809
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: 235
Temperature: 1.000000
Total energy: -291.057491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.057491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.057491 (E_RNA)
where:
Base-Base interactions energy: -196.475
where: short stacking energy: -88.973
Base-Backbone interact. energy: -0.411
local terms energy: -94.171725
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -23.506
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: 235
Temperature: 1.050000
Total energy: -291.508769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.508769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.508769 (E_RNA)
where:
Base-Base interactions energy: -189.210
where: short stacking energy: -87.854
Base-Backbone interact. energy: -0.416
local terms energy: -101.882650
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -24.786
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: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -179.956618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.956618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956618 (E_RNA)
where:
Base-Base interactions energy: -104.629
where: short stacking energy: -55.874
Base-Backbone interact. energy: 1.295
local terms energy: -76.622788
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -6.980
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: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -138.119612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.119612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.119612 (E_RNA)
where:
Base-Base interactions energy: -53.158
where: short stacking energy: -40.340
Base-Backbone interact. energy: -0.058
local terms energy: -84.903028
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -155.460093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.460093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.460093 (E_RNA)
where:
Base-Base interactions energy: -86.883
where: short stacking energy: -52.672
Base-Backbone interact. energy: -0.231
local terms energy: -68.345876
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -5.828
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: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -107.014633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.014633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.014633 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -41.673
Base-Backbone interact. energy: 0.669
local terms energy: -65.142572
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -0.041
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: 235
Temperature: 1.300000
Total energy: -120.464629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.464629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.464629 (E_RNA)
where:
Base-Base interactions energy: -58.722
where: short stacking energy: -56.021
Base-Backbone interact. energy: -0.040
local terms energy: -61.703057
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -6.788
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: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -99.051945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.051945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.051945 (E_RNA)
where:
Base-Base interactions energy: -39.447
where: short stacking energy: -30.344
Base-Backbone interact. energy: -0.881
local terms energy: -58.723203
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -7.953
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: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -315.539964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.539964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.539964 (E_RNA)
where:
Base-Base interactions energy: -207.637
where: short stacking energy: -93.502
Base-Backbone interact. energy: -0.279
local terms energy: -107.624611
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -24.826
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: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -308.205920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.205920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.205920 (E_RNA)
where:
Base-Base interactions energy: -205.896
where: short stacking energy: -97.787
Base-Backbone interact. energy: -0.228
local terms energy: -102.081239
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -300.396774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.396774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.396774 (E_RNA)
where:
Base-Base interactions energy: -192.353
where: short stacking energy: -93.438
Base-Backbone interact. energy: 2.574
local terms energy: -110.618473
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -291.139700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.139700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.139700 (E_RNA)
where:
Base-Base interactions energy: -196.631
where: short stacking energy: -87.735
Base-Backbone interact. energy: 0.021
local terms energy: -94.529663
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -23.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -219.853688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.853688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.853688 (E_RNA)
where:
Base-Base interactions energy: -128.051
where: short stacking energy: -68.596
Base-Backbone interact. energy: -0.164
local terms energy: -91.638666
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -122.989304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.989304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.989304 (E_RNA)
where:
Base-Base interactions energy: -50.482
where: short stacking energy: -50.482
Base-Backbone interact. energy: -0.402
local terms energy: -72.105174
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -161.200121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.200121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.200121 (E_RNA)
where:
Base-Base interactions energy: -81.879
where: short stacking energy: -50.378
Base-Backbone interact. energy: 0.339
local terms energy: -79.660548
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -5.811
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: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -109.164389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.164389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.164389 (E_RNA)
where:
Base-Base interactions energy: -41.768
where: short stacking energy: -38.425
Base-Backbone interact. energy: -0.195
local terms energy: -67.201626
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -108.883995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.883995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.883995 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -24.736
Base-Backbone interact. energy: -0.147
local terms energy: -70.799502
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -102.341177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.341177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.341177 (E_RNA)
where:
Base-Base interactions energy: -38.357
where: short stacking energy: -34.324
Base-Backbone interact. energy: -0.376
local terms energy: -63.607758
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -308.779579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.779579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.779579 (E_RNA)
where:
Base-Base interactions energy: -209.907
where: short stacking energy: -87.723
Base-Backbone interact. energy: -1.043
local terms energy: -97.829361
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -23.167
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: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -308.775136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.775136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.775136 (E_RNA)
where:
Base-Base interactions energy: -201.755
where: short stacking energy: -88.459
Base-Backbone interact. energy: -0.939
local terms energy: -106.081973
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -24.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -299.553743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.553743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.553743 (E_RNA)
where:
Base-Base interactions energy: -204.052
where: short stacking energy: -93.747
Base-Backbone interact. energy: -0.446
local terms energy: -95.055477
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -21.648
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: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -277.878680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.878680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.878680 (E_RNA)
where:
Base-Base interactions energy: -182.628
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.398
local terms energy: -94.853307
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -217.424250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.424250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.424250 (E_RNA)
where:
Base-Base interactions energy: -133.355
where: short stacking energy: -64.748
Base-Backbone interact. energy: -0.756
local terms energy: -83.313943
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -180.771317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.771317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.771317 (E_RNA)
where:
Base-Base interactions energy: -97.520
where: short stacking energy: -58.055
Base-Backbone interact. energy: 0.063
local terms energy: -83.314917
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -129.034429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.034429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.034429 (E_RNA)
where:
Base-Base interactions energy: -44.177
where: short stacking energy: -43.125
Base-Backbone interact. energy: -0.122
local terms energy: -84.734937
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -8.894
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: 237
Temperature: 1.250000
Total energy: -111.379736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.379736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.379736 (E_RNA)
where:
Base-Base interactions energy: -46.287
where: short stacking energy: -42.425
Base-Backbone interact. energy: -0.237
local terms energy: -64.855993
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -103.132424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.132424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.132424 (E_RNA)
where:
Base-Base interactions energy: -41.523
where: short stacking energy: -36.881
Base-Backbone interact. energy: 0.238
local terms energy: -61.848097
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -98.007221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.007221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.007221 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -33.714
Base-Backbone interact. energy: -0.346
local terms energy: -60.845390
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -310.861159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.861159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.861159 (E_RNA)
where:
Base-Base interactions energy: -214.164
where: short stacking energy: -95.033
Base-Backbone interact. energy: 0.192
local terms energy: -96.890052
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -23.919
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: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -312.366198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.366198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.366198 (E_RNA)
where:
Base-Base interactions energy: -206.804
where: short stacking energy: -92.969
Base-Backbone interact. energy: -0.175
local terms energy: -105.387254
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -289.474193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.474193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.474193 (E_RNA)
where:
Base-Base interactions energy: -194.249
where: short stacking energy: -81.806
Base-Backbone interact. energy: -0.055
local terms energy: -95.170313
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -299.219491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.219491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.219491 (E_RNA)
where:
Base-Base interactions energy: -204.079
where: short stacking energy: -96.291
Base-Backbone interact. energy: -0.248
local terms energy: -94.892980
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -24.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -245.268188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.268188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.268188 (E_RNA)
where:
Base-Base interactions energy: -154.698
where: short stacking energy: -67.867
Base-Backbone interact. energy: -0.419
local terms energy: -90.150840
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -17.669
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: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -148.946236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.946236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.946236 (E_RNA)
where:
Base-Base interactions energy: -80.302
where: short stacking energy: -55.411
Base-Backbone interact. energy: -1.034
local terms energy: -67.610748
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -5.888
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: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -125.669809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.669809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.669809 (E_RNA)
where:
Base-Base interactions energy: -58.114
where: short stacking energy: -58.114
Base-Backbone interact. energy: -0.030
local terms energy: -67.525741
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -12.579
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: 238
Temperature: 1.250000
Total energy: -117.014705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.014705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.014705 (E_RNA)
where:
Base-Base interactions energy: -41.792
where: short stacking energy: -37.884
Base-Backbone interact. energy: -0.239
local terms energy: -74.982988
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -100.090046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.090046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.090046 (E_RNA)
where:
Base-Base interactions energy: -37.063
where: short stacking energy: -29.663
Base-Backbone interact. energy: -1.053
local terms energy: -61.974715
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -107.888438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.888438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.888438 (E_RNA)
where:
Base-Base interactions energy: -47.903
where: short stacking energy: -43.505
Base-Backbone interact. energy: -0.290
local terms energy: -59.695567
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -0.179
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: 239
Temperature: 0.900000
Total energy: -315.866969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.866969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.866969 (E_RNA)
where:
Base-Base interactions energy: -216.251
where: short stacking energy: -90.373
Base-Backbone interact. energy: -1.631
local terms energy: -97.985463
where:
bonds (distance) C4'-P energy: -24.036
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -22.122
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: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -308.211625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.211625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.211625 (E_RNA)
where:
Base-Base interactions energy: -202.209
where: short stacking energy: -92.721
Base-Backbone interact. energy: -0.374
local terms energy: -105.628697
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -305.703561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.703561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.703561 (E_RNA)
where:
Base-Base interactions energy: -210.233
where: short stacking energy: -96.159
Base-Backbone interact. energy: -0.274
local terms energy: -95.196697
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -26.583
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: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -300.155983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.155983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.155983 (E_RNA)
where:
Base-Base interactions energy: -196.857
where: short stacking energy: -89.277
Base-Backbone interact. energy: -0.422
local terms energy: -102.876908
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -24.197
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: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -214.208139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.208139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.208139 (E_RNA)
where:
Base-Base interactions energy: -131.416
where: short stacking energy: -52.107
Base-Backbone interact. energy: -0.348
local terms energy: -82.444162
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -128.872798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.872798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.872798 (E_RNA)
where:
Base-Base interactions energy: -62.254
where: short stacking energy: -47.146
Base-Backbone interact. energy: -0.431
local terms energy: -66.188030
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -7.831
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: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -130.852409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.852409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.852409 (E_RNA)
where:
Base-Base interactions energy: -53.036
where: short stacking energy: -48.471
Base-Backbone interact. energy: -0.259
local terms energy: -77.557453
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -5.558
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: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -108.852833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.852833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.852833 (E_RNA)
where:
Base-Base interactions energy: -39.441
where: short stacking energy: -34.834
Base-Backbone interact. energy: -0.248
local terms energy: -69.163748
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -7.684
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: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -111.695510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.695510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.695510 (E_RNA)
where:
Base-Base interactions energy: -51.866
where: short stacking energy: -26.366
Base-Backbone interact. energy: -0.845
local terms energy: -58.984459
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -97.055363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.055363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.055363 (E_RNA)
where:
Base-Base interactions energy: -35.092
where: short stacking energy: -25.391
Base-Backbone interact. energy: -0.271
local terms energy: -61.692474
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: 1.769
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: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -315.182275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.182275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.182275 (E_RNA)
where:
Base-Base interactions energy: -218.050
where: short stacking energy: -95.475
Base-Backbone interact. energy: -0.264
local terms energy: -96.868394
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -25.892
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: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -304.359584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.359584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.359584 (E_RNA)
where:
Base-Base interactions energy: -206.154
where: short stacking energy: -94.628
Base-Backbone interact. energy: -0.411
local terms energy: -97.794491
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -313.083774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.083774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.083774 (E_RNA)
where:
Base-Base interactions energy: -209.059
where: short stacking energy: -91.696
Base-Backbone interact. energy: 0.452
local terms energy: -104.476715
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -27.027
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: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -270.299731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.299731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.299731 (E_RNA)
where:
Base-Base interactions energy: -181.958
where: short stacking energy: -87.379
Base-Backbone interact. energy: -0.229
local terms energy: -88.112552
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -215.385515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.385515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.385515 (E_RNA)
where:
Base-Base interactions energy: -121.426
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.671
local terms energy: -93.287869
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -148.093052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.093052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.093052 (E_RNA)
where:
Base-Base interactions energy: -59.772
where: short stacking energy: -58.952
Base-Backbone interact. energy: -1.450
local terms energy: -86.871097
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -152.283469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.283469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.283469 (E_RNA)
where:
Base-Base interactions energy: -86.713
where: short stacking energy: -53.316
Base-Backbone interact. energy: 3.392
local terms energy: -68.962286
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -10.641
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: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -106.594171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.594171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.594171 (E_RNA)
where:
Base-Base interactions energy: -56.860
where: short stacking energy: -37.966
Base-Backbone interact. energy: 0.586
local terms energy: -50.319866
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: 3.333
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: 240
Temperature: 1.300000
Total energy: -103.966159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.966159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.966159 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -30.414
Base-Backbone interact. energy: 1.638
local terms energy: -67.090966
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -24.812
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -4.177
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: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -106.293606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.293606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.293606 (E_RNA)
where:
Base-Base interactions energy: -37.906
where: short stacking energy: -34.062
Base-Backbone interact. energy: 2.604
local terms energy: -70.991662
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -314.877246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.877246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.877246 (E_RNA)
where:
Base-Base interactions energy: -210.443
where: short stacking energy: -90.913
Base-Backbone interact. energy: -0.438
local terms energy: -103.996484
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -27.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -329.909104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.909104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.909104 (E_RNA)
where:
Base-Base interactions energy: -217.191
where: short stacking energy: -99.385
Base-Backbone interact. energy: -2.281
local terms energy: -110.436745
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -28.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -307.063124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.063124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.063124 (E_RNA)
where:
Base-Base interactions energy: -201.407
where: short stacking energy: -95.729
Base-Backbone interact. energy: -0.606
local terms energy: -105.050007
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -25.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -304.383451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.383451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.383451 (E_RNA)
where:
Base-Base interactions energy: -199.823
where: short stacking energy: -91.814
Base-Backbone interact. energy: -1.185
local terms energy: -103.375195
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -25.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -238.019667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.019667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.019667 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -83.781
Base-Backbone interact. energy: 0.035
local terms energy: -93.920619
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -134.324821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.324821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.324821 (E_RNA)
where:
Base-Base interactions energy: -58.016
where: short stacking energy: -58.016
Base-Backbone interact. energy: -0.060
local terms energy: -76.248378
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -9.885
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: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -150.634498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.634498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.634498 (E_RNA)
where:
Base-Base interactions energy: -80.621
where: short stacking energy: -46.845
Base-Backbone interact. energy: 0.582
local terms energy: -70.595807
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -111.298288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.298288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.298288 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -33.589
Base-Backbone interact. energy: -0.099
local terms energy: -77.610729
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -24.366
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -10.755
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: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -124.777242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.777242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.777242 (E_RNA)
where:
Base-Base interactions energy: -60.407
where: short stacking energy: -38.338
Base-Backbone interact. energy: -0.326
local terms energy: -64.043465
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: 3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -120.014210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.014210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.014210 (E_RNA)
where:
Base-Base interactions energy: -56.433
where: short stacking energy: -41.726
Base-Backbone interact. energy: -0.400
local terms energy: -63.180263
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -334.206566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.206566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.206566 (E_RNA)
where:
Base-Base interactions energy: -219.824
where: short stacking energy: -97.688
Base-Backbone interact. energy: -0.144
local terms energy: -114.238206
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -24.920
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -30.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -312.128737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.128737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.128737 (E_RNA)
where:
Base-Base interactions energy: -213.913
where: short stacking energy: -87.385
Base-Backbone interact. energy: -0.945
local terms energy: -97.270917
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -22.581
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: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -301.912547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.912547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.912547 (E_RNA)
where:
Base-Base interactions energy: -208.433
where: short stacking energy: -87.445
Base-Backbone interact. energy: -0.467
local terms energy: -93.012697
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -25.600
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: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -289.213778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.213778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.213778 (E_RNA)
where:
Base-Base interactions energy: -197.102
where: short stacking energy: -90.560
Base-Backbone interact. energy: -0.215
local terms energy: -91.896804
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -18.160
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: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -236.505328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.505328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.505328 (E_RNA)
where:
Base-Base interactions energy: -141.455
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.147
local terms energy: -94.903083
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -17.885
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: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -132.372867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.372867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.372867 (E_RNA)
where:
Base-Base interactions energy: -62.229
where: short stacking energy: -52.443
Base-Backbone interact. energy: -0.846
local terms energy: -69.297854
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -129.299536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.299536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.299536 (E_RNA)
where:
Base-Base interactions energy: -60.321
where: short stacking energy: -60.240
Base-Backbone interact. energy: 0.324
local terms energy: -69.302328
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -162.806978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.806978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.806978 (E_RNA)
where:
Base-Base interactions energy: -92.389
where: short stacking energy: -56.668
Base-Backbone interact. energy: -0.908
local terms energy: -69.509750
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.922
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: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -110.816738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.816738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.816738 (E_RNA)
where:
Base-Base interactions energy: -55.219
where: short stacking energy: -41.146
Base-Backbone interact. energy: -0.378
local terms energy: -55.219916
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -127.270935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.270935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.270935 (E_RNA)
where:
Base-Base interactions energy: -66.501
where: short stacking energy: -42.866
Base-Backbone interact. energy: -0.740
local terms energy: -60.029719
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -328.193506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.193506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.193506 (E_RNA)
where:
Base-Base interactions energy: -224.103
where: short stacking energy: -91.623
Base-Backbone interact. energy: 0.071
local terms energy: -104.161645
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -25.077
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: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -307.873600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.873600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.873600 (E_RNA)
where:
Base-Base interactions energy: -205.030
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.813
local terms energy: -102.030053
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -23.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -312.101328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.101328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.101328 (E_RNA)
where:
Base-Base interactions energy: -208.556
where: short stacking energy: -91.724
Base-Backbone interact. energy: -0.482
local terms energy: -103.063606
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -31.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -284.668947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.668947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.668947 (E_RNA)
where:
Base-Base interactions energy: -188.714
where: short stacking energy: -84.965
Base-Backbone interact. energy: 2.196
local terms energy: -98.150786
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -221.829416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.829416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.829416 (E_RNA)
where:
Base-Base interactions energy: -133.924
where: short stacking energy: -67.243
Base-Backbone interact. energy: -0.092
local terms energy: -87.813552
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -23.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -164.012345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.012345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.012345 (E_RNA)
where:
Base-Base interactions energy: -82.487
where: short stacking energy: -46.278
Base-Backbone interact. energy: -0.034
local terms energy: -81.490906
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -7.130
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: 243
Temperature: 1.200000
Total energy: -123.445160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.445160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.445160 (E_RNA)
where:
Base-Base interactions energy: -54.715
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.577
local terms energy: -68.153097
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -141.275383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.275383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.275383 (E_RNA)
where:
Base-Base interactions energy: -76.643
where: short stacking energy: -50.627
Base-Backbone interact. energy: -0.227
local terms energy: -64.405753
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -137.653522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.653522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.653522 (E_RNA)
where:
Base-Base interactions energy: -73.384
where: short stacking energy: -32.093
Base-Backbone interact. energy: -0.281
local terms energy: -63.988156
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: 1.575
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: 243
Temperature: 1.350000
Total energy: -99.880490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.880490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.880490 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.328
local terms energy: -70.902066
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -3.651
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: 244
Temperature: 0.900000
Total energy: -331.559694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.559694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.559694 (E_RNA)
where:
Base-Base interactions energy: -223.560
where: short stacking energy: -103.196
Base-Backbone interact. energy: -0.830
local terms energy: -107.170251
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -30.682
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: 244
Temperature: 0.950000
Total energy: -319.778541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.778541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.778541 (E_RNA)
where:
Base-Base interactions energy: -215.171
where: short stacking energy: -94.297
Base-Backbone interact. energy: -1.147
local terms energy: -103.460711
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -27.437
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: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -301.486930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.486930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.486930 (E_RNA)
where:
Base-Base interactions energy: -206.224
where: short stacking energy: -83.948
Base-Backbone interact. energy: -0.926
local terms energy: -94.337132
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -25.286
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: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -300.160317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.160317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.160317 (E_RNA)
where:
Base-Base interactions energy: -201.980
where: short stacking energy: -105.945
Base-Backbone interact. energy: -0.063
local terms energy: -98.116780
where:
bonds (distance) C4'-P energy: -21.331
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -27.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -198.003450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.003450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.003450 (E_RNA)
where:
Base-Base interactions energy: -117.381
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.046
local terms energy: -80.576166
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -189.232629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.232629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.232629 (E_RNA)
where:
Base-Base interactions energy: -97.928
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.140
local terms energy: -91.165192
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -155.781641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.781641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.781641 (E_RNA)
where:
Base-Base interactions energy: -89.778
where: short stacking energy: -46.089
Base-Backbone interact. energy: -0.629
local terms energy: -65.374054
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -110.924090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.924090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.924090 (E_RNA)
where:
Base-Base interactions energy: -38.471
where: short stacking energy: -37.094
Base-Backbone interact. energy: 1.646
local terms energy: -74.099333
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -128.490504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.490504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.490504 (E_RNA)
where:
Base-Base interactions energy: -67.228
where: short stacking energy: -38.293
Base-Backbone interact. energy: -0.342
local terms energy: -60.920661
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -107.758402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.758402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.758402 (E_RNA)
where:
Base-Base interactions energy: -47.995
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.892
local terms energy: -58.872014
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: 1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -334.019608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.019608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.019608 (E_RNA)
where:
Base-Base interactions energy: -231.618
where: short stacking energy: -98.756
Base-Backbone interact. energy: -0.240
local terms energy: -102.162179
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -23.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -318.566927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.566927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.566927 (E_RNA)
where:
Base-Base interactions energy: -216.565
where: short stacking energy: -94.694
Base-Backbone interact. energy: -0.268
local terms energy: -101.734319
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -309.527240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.527240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.527240 (E_RNA)
where:
Base-Base interactions energy: -208.226
where: short stacking energy: -95.493
Base-Backbone interact. energy: -0.001
local terms energy: -101.300799
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -26.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -208.902537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.902537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.902537 (E_RNA)
where:
Base-Base interactions energy: -120.512
where: short stacking energy: -64.648
Base-Backbone interact. energy: 1.602
local terms energy: -89.992344
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -14.571
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: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -235.017916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.017916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.017916 (E_RNA)
where:
Base-Base interactions energy: -138.557
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.011
local terms energy: -96.450164
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -15.629
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: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -223.256030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.256030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.256030 (E_RNA)
where:
Base-Base interactions energy: -137.759
where: short stacking energy: -69.728
Base-Backbone interact. energy: 0.028
local terms energy: -85.525007
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.675
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: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -154.156594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.156594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.156594 (E_RNA)
where:
Base-Base interactions energy: -74.645
where: short stacking energy: -43.019
Base-Backbone interact. energy: -0.267
local terms energy: -79.244177
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -130.649954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.649954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.649954 (E_RNA)
where:
Base-Base interactions energy: -61.610
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.022
local terms energy: -69.018001
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -115.628968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.628968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.628968 (E_RNA)
where:
Base-Base interactions energy: -47.424
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.020
local terms energy: -68.184630
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -6.985
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: 245
Temperature: 1.350000
Total energy: -101.808060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.808060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.808060 (E_RNA)
where:
Base-Base interactions energy: -33.357
where: short stacking energy: -29.166
Base-Backbone interact. energy: -0.991
local terms energy: -67.460382
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -330.804015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.804015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.804015 (E_RNA)
where:
Base-Base interactions energy: -222.578
where: short stacking energy: -99.788
Base-Backbone interact. energy: -0.205
local terms energy: -108.021303
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -27.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -309.855544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.855544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.855544 (E_RNA)
where:
Base-Base interactions energy: -205.290
where: short stacking energy: -96.589
Base-Backbone interact. energy: -0.237
local terms energy: -104.328025
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -305.063607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.063607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.063607 (E_RNA)
where:
Base-Base interactions energy: -209.912
where: short stacking energy: -82.482
Base-Backbone interact. energy: -2.541
local terms energy: -92.609864
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -231.300825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.300825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.300825 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -75.462
Base-Backbone interact. energy: -0.218
local terms energy: -91.293702
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -22.039
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: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -240.410891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.410891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.410891 (E_RNA)
where:
Base-Base interactions energy: -148.843
where: short stacking energy: -72.291
Base-Backbone interact. energy: 0.073
local terms energy: -91.640485
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -220.538067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.538067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.538067 (E_RNA)
where:
Base-Base interactions energy: -132.799
where: short stacking energy: -66.499
Base-Backbone interact. energy: -1.116
local terms energy: -86.623778
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -13.914
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: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -141.028676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.028676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.028676 (E_RNA)
where:
Base-Base interactions energy: -66.296
where: short stacking energy: -47.395
Base-Backbone interact. energy: -0.267
local terms energy: -74.465729
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -11.183
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: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -135.053467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.053467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.053467 (E_RNA)
where:
Base-Base interactions energy: -58.462
where: short stacking energy: -57.968
Base-Backbone interact. energy: -0.636
local terms energy: -75.956029
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -12.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -125.092518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.092518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.092518 (E_RNA)
where:
Base-Base interactions energy: -39.916
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.310
local terms energy: -84.865907
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -15.551
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: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -105.203260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.203260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.203260 (E_RNA)
where:
Base-Base interactions energy: -53.978
where: short stacking energy: -35.953
Base-Backbone interact. energy: -0.209
local terms energy: -51.015472
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: 4.511
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: 247
Temperature: 0.900000
Total energy: -319.767708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.767708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.767708 (E_RNA)
where:
Base-Base interactions energy: -209.915
where: short stacking energy: -93.062
Base-Backbone interact. energy: -0.132
local terms energy: -109.720872
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -25.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -322.187432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.187432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.187432 (E_RNA)
where:
Base-Base interactions energy: -223.191
where: short stacking energy: -94.979
Base-Backbone interact. energy: 4.393
local terms energy: -103.389346
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: -25.629
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: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -302.490715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.490715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.490715 (E_RNA)
where:
Base-Base interactions energy: -204.492
where: short stacking energy: -80.835
Base-Backbone interact. energy: -1.773
local terms energy: -96.225665
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -16.439
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: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -268.214492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.214492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.214492 (E_RNA)
where:
Base-Base interactions energy: -173.831
where: short stacking energy: -87.839
Base-Backbone interact. energy: -1.092
local terms energy: -93.292184
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -22.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -229.047287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.047287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.047287 (E_RNA)
where:
Base-Base interactions energy: -143.243
where: short stacking energy: -85.604
Base-Backbone interact. energy: -0.811
local terms energy: -84.993940
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -7.136
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: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -234.990682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.990682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.990682 (E_RNA)
where:
Base-Base interactions energy: -150.121
where: short stacking energy: -67.340
Base-Backbone interact. energy: -0.085
local terms energy: -84.785164
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -120.552311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.552311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.552311 (E_RNA)
where:
Base-Base interactions energy: -46.189
where: short stacking energy: -37.005
Base-Backbone interact. energy: -1.166
local terms energy: -73.197314
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -124.022203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.022203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.022203 (E_RNA)
where:
Base-Base interactions energy: -44.168
where: short stacking energy: -38.667
Base-Backbone interact. energy: -0.150
local terms energy: -79.704795
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -122.832757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.832757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.832757 (E_RNA)
where:
Base-Base interactions energy: -53.199
where: short stacking energy: -39.046
Base-Backbone interact. energy: -0.443
local terms energy: -69.190507
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -5.603
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: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -97.928423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.928423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.928423 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -35.792
Base-Backbone interact. energy: 0.951
local terms energy: -58.193545
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -6.236
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: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -330.029235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.029235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.029235 (E_RNA)
where:
Base-Base interactions energy: -231.634
where: short stacking energy: -86.885
Base-Backbone interact. energy: -0.684
local terms energy: -97.711444
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -319.171123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.171123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.171123 (E_RNA)
where:
Base-Base interactions energy: -218.230
where: short stacking energy: -97.483
Base-Backbone interact. energy: -0.180
local terms energy: -100.761117
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -268.444946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.444946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.444946 (E_RNA)
where:
Base-Base interactions energy: -167.856
where: short stacking energy: -81.488
Base-Backbone interact. energy: -0.767
local terms energy: -99.822512
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -273.540675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.540675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.540675 (E_RNA)
where:
Base-Base interactions energy: -180.352
where: short stacking energy: -85.921
Base-Backbone interact. energy: -1.118
local terms energy: -92.070933
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -230.332719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.332719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.332719 (E_RNA)
where:
Base-Base interactions energy: -148.337
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.275
local terms energy: -81.720791
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -7.919
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: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -223.366890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.366890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.366890 (E_RNA)
where:
Base-Base interactions energy: -151.227
where: short stacking energy: -89.017
Base-Backbone interact. energy: -0.629
local terms energy: -71.510058
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -2.441
tors. eta vs tors. theta energy: -22.548
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: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -130.514387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.514387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.514387 (E_RNA)
where:
Base-Base interactions energy: -54.643
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.207
local terms energy: -75.664996
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -6.457
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: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -125.442486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.442486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.442486 (E_RNA)
where:
Base-Base interactions energy: -49.639
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.080
local terms energy: -75.723038
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -121.177690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.177690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.177690 (E_RNA)
where:
Base-Base interactions energy: -49.039
where: short stacking energy: -43.731
Base-Backbone interact. energy: -0.119
local terms energy: -72.019859
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -9.999
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: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -105.433270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.433270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.433270 (E_RNA)
where:
Base-Base interactions energy: -37.329
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.071
local terms energy: -68.033680
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: 1.274
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: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -320.160789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.160789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.160789 (E_RNA)
where:
Base-Base interactions energy: -215.530
where: short stacking energy: -89.466
Base-Backbone interact. energy: 0.205
local terms energy: -104.835925
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -310.321490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.321490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.321490 (E_RNA)
where:
Base-Base interactions energy: -199.224
where: short stacking energy: -95.222
Base-Backbone interact. energy: -0.477
local terms energy: -110.620743
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -26.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -244.345872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.345872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.345872 (E_RNA)
where:
Base-Base interactions energy: -155.048
where: short stacking energy: -84.832
Base-Backbone interact. energy: -0.095
local terms energy: -89.201977
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -284.583489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.583489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.583489 (E_RNA)
where:
Base-Base interactions energy: -183.755
where: short stacking energy: -79.751
Base-Backbone interact. energy: -1.106
local terms energy: -99.721931
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -225.504388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.504388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.504388 (E_RNA)
where:
Base-Base interactions energy: -140.394
where: short stacking energy: -67.988
Base-Backbone interact. energy: -0.851
local terms energy: -84.259159
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -14.150
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: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -235.138723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.138723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.138723 (E_RNA)
where:
Base-Base interactions energy: -150.939
where: short stacking energy: -66.349
Base-Backbone interact. energy: -0.011
local terms energy: -84.188580
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -9.930
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: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -147.409772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.409772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.409772 (E_RNA)
where:
Base-Base interactions energy: -65.163
where: short stacking energy: -41.124
Base-Backbone interact. energy: -0.099
local terms energy: -82.148670
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -13.694
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: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -119.080847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.080847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.080847 (E_RNA)
where:
Base-Base interactions energy: -52.028
where: short stacking energy: -48.443
Base-Backbone interact. energy: 1.083
local terms energy: -68.135546
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -112.924710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.924710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.924710 (E_RNA)
where:
Base-Base interactions energy: -44.904
where: short stacking energy: -43.764
Base-Backbone interact. energy: -1.111
local terms energy: -66.910234
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -101.139756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.139756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.139756 (E_RNA)
where:
Base-Base interactions energy: -40.838
where: short stacking energy: -34.124
Base-Backbone interact. energy: -1.613
local terms energy: -58.688789
where:
bonds (distance) C4'-P energy: -7.417
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -308.058792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.058792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.058792 (E_RNA)
where:
Base-Base interactions energy: -195.648
where: short stacking energy: -83.432
Base-Backbone interact. energy: -0.235
local terms energy: -112.175541
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -319.960399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.960399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.960399 (E_RNA)
where:
Base-Base interactions energy: -209.383
where: short stacking energy: -86.043
Base-Backbone interact. energy: -0.111
local terms energy: -110.465718
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -284.881404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.881404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.881404 (E_RNA)
where:
Base-Base interactions energy: -193.173
where: short stacking energy: -75.823
Base-Backbone interact. energy: -1.468
local terms energy: -90.239896
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -8.598
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: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -249.190359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.190359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.190359 (E_RNA)
where:
Base-Base interactions energy: -157.009
where: short stacking energy: -77.746
Base-Backbone interact. energy: -0.553
local terms energy: -91.627639
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -16.802
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: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -246.230933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.230933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.230933 (E_RNA)
where:
Base-Base interactions energy: -158.414
where: short stacking energy: -65.852
Base-Backbone interact. energy: -1.883
local terms energy: -85.934044
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -15.426
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -243.530334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.530334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.530334 (E_RNA)
where:
Base-Base interactions energy: -149.011
where: short stacking energy: -81.461
Base-Backbone interact. energy: -0.726
local terms energy: -93.793136
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -119.647817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.647817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.647817 (E_RNA)
where:
Base-Base interactions energy: -46.743
where: short stacking energy: -46.743
Base-Backbone interact. energy: -0.283
local terms energy: -72.621362
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -112.627547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.627547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.627547 (E_RNA)
where:
Base-Base interactions energy: -54.129
where: short stacking energy: -44.101
Base-Backbone interact. energy: -0.457
local terms energy: -58.041499
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -115.082948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.082948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.082948 (E_RNA)
where:
Base-Base interactions energy: -59.034
where: short stacking energy: -39.609
Base-Backbone interact. energy: 0.313
local terms energy: -56.362105
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -95.672284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.672284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.672284 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -24.383
Base-Backbone interact. energy: -0.568
local terms energy: -64.007843
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: 3.324
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: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -323.247191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.247191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.247191 (E_RNA)
where:
Base-Base interactions energy: -213.016
where: short stacking energy: -104.486
Base-Backbone interact. energy: -0.408
local terms energy: -109.823469
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -28.283
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: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -317.807295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.807295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.807295 (E_RNA)
where:
Base-Base interactions energy: -215.117
where: short stacking energy: -94.496
Base-Backbone interact. energy: -0.231
local terms energy: -102.459417
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -28.213
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: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -305.575155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.575155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.575155 (E_RNA)
where:
Base-Base interactions energy: -196.938
where: short stacking energy: -83.197
Base-Backbone interact. energy: -0.652
local terms energy: -107.984833
where:
bonds (distance) C4'-P energy: -22.727
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -250.400621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.400621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.400621 (E_RNA)
where:
Base-Base interactions energy: -157.128
where: short stacking energy: -78.939
Base-Backbone interact. energy: -0.479
local terms energy: -92.793401
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -251.017599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.017599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.017599 (E_RNA)
where:
Base-Base interactions energy: -162.170
where: short stacking energy: -78.444
Base-Backbone interact. energy: 0.510
local terms energy: -89.356925
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -9.231
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: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -221.669559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.669559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.669559 (E_RNA)
where:
Base-Base interactions energy: -131.760
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.162
local terms energy: -89.747004
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -129.354587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.354587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.354587 (E_RNA)
where:
Base-Base interactions energy: -48.567
where: short stacking energy: -47.001
Base-Backbone interact. energy: -0.257
local terms energy: -80.530076
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -9.535
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: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -133.000610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.000610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.000610 (E_RNA)
where:
Base-Base interactions energy: -60.949
where: short stacking energy: -33.424
Base-Backbone interact. energy: 0.475
local terms energy: -72.526009
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -102.160459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.160459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.160459 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -27.256
Base-Backbone interact. energy: -0.277
local terms energy: -71.296820
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: 1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -107.313826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.313826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.313826 (E_RNA)
where:
Base-Base interactions energy: -44.866
where: short stacking energy: -29.577
Base-Backbone interact. energy: 3.408
local terms energy: -65.855040
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -3.407
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: 252
Temperature: 0.900000
Total energy: -326.798172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.798172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.798172 (E_RNA)
where:
Base-Base interactions energy: -214.836
where: short stacking energy: -96.040
Base-Backbone interact. energy: -1.020
local terms energy: -110.942812
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -29.164
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: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -314.481469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.481469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.481469 (E_RNA)
where:
Base-Base interactions energy: -205.670
where: short stacking energy: -87.909
Base-Backbone interact. energy: -0.426
local terms energy: -108.385047
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -21.122
tors. eta vs tors. theta energy: -25.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -301.220255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.220255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.220255 (E_RNA)
where:
Base-Base interactions energy: -208.788
where: short stacking energy: -88.998
Base-Backbone interact. energy: -0.541
local terms energy: -91.891855
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -23.592
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -254.727803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.727803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.727803 (E_RNA)
where:
Base-Base interactions energy: -159.884
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.442
local terms energy: -94.401581
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -235.423658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.423658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.423658 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -62.810
Base-Backbone interact. energy: -0.182
local terms energy: -85.873193
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -236.299787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.299787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.299787 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -72.634
Base-Backbone interact. energy: -0.153
local terms energy: -97.132987
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -115.411790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.411790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.411790 (E_RNA)
where:
Base-Base interactions energy: -44.190
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.236
local terms energy: -70.985196
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -2.453
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: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -115.730474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.730474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.730474 (E_RNA)
where:
Base-Base interactions energy: -55.605
where: short stacking energy: -43.930
Base-Backbone interact. energy: -0.412
local terms energy: -59.713321
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -13.865
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: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -100.531991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.531991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.531991 (E_RNA)
where:
Base-Base interactions energy: -47.133
where: short stacking energy: -44.809
Base-Backbone interact. energy: 0.980
local terms energy: -54.378813
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -97.760047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.760047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.760047 (E_RNA)
where:
Base-Base interactions energy: -37.412
where: short stacking energy: -25.229
Base-Backbone interact. energy: -0.368
local terms energy: -59.979906
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -9.835
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: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -318.401743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.401743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.401743 (E_RNA)
where:
Base-Base interactions energy: -209.596
where: short stacking energy: -91.978
Base-Backbone interact. energy: -0.475
local terms energy: -108.331060
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -27.816
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: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -312.109697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.109697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.109697 (E_RNA)
where:
Base-Base interactions energy: -197.926
where: short stacking energy: -92.525
Base-Backbone interact. energy: -0.143
local terms energy: -114.040736
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -31.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -291.122974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.122974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.122974 (E_RNA)
where:
Base-Base interactions energy: -196.904
where: short stacking energy: -87.020
Base-Backbone interact. energy: -0.243
local terms energy: -93.975617
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -233.181492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.181492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.181492 (E_RNA)
where:
Base-Base interactions energy: -141.034
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.065
local terms energy: -92.082021
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -15.613
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: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -234.749296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.749296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.749296 (E_RNA)
where:
Base-Base interactions energy: -148.925
where: short stacking energy: -72.991
Base-Backbone interact. energy: -1.401
local terms energy: -84.422604
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -231.807975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.807975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.807975 (E_RNA)
where:
Base-Base interactions energy: -147.391
where: short stacking energy: -69.857
Base-Backbone interact. energy: -0.112
local terms energy: -84.305194
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -131.170090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.170090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.170090 (E_RNA)
where:
Base-Base interactions energy: -56.555
where: short stacking energy: -51.560
Base-Backbone interact. energy: 0.810
local terms energy: -75.424578
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -132.559195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.559195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.559195 (E_RNA)
where:
Base-Base interactions energy: -74.022
where: short stacking energy: -37.348
Base-Backbone interact. energy: 1.409
local terms energy: -59.946406
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -112.089428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.089428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.089428 (E_RNA)
where:
Base-Base interactions energy: -39.743
where: short stacking energy: -39.743
Base-Backbone interact. energy: -0.426
local terms energy: -71.920576
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -103.170947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.170947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.170947 (E_RNA)
where:
Base-Base interactions energy: -36.739
where: short stacking energy: -36.739
Base-Backbone interact. energy: -0.084
local terms energy: -66.347655
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -317.964384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.964384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.964384 (E_RNA)
where:
Base-Base interactions energy: -212.320
where: short stacking energy: -95.180
Base-Backbone interact. energy: -0.362
local terms energy: -105.282399
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -25.523
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: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -327.168292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.168292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.168292 (E_RNA)
where:
Base-Base interactions energy: -224.391
where: short stacking energy: -92.938
Base-Backbone interact. energy: 0.454
local terms energy: -103.230672
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -27.934
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -291.448013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.448013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.448013 (E_RNA)
where:
Base-Base interactions energy: -200.806
where: short stacking energy: -79.888
Base-Backbone interact. energy: -0.890
local terms energy: -89.751482
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -248.460895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.460895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.460895 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -77.634
Base-Backbone interact. energy: -0.353
local terms energy: -95.901248
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -235.822569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.822569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.822569 (E_RNA)
where:
Base-Base interactions energy: -144.527
where: short stacking energy: -83.030
Base-Backbone interact. energy: -0.116
local terms energy: -91.179566
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -19.788
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: 254
Temperature: 1.150000
Total energy: -229.128266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.128266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.128266 (E_RNA)
where:
Base-Base interactions energy: -138.748
where: short stacking energy: -71.665
Base-Backbone interact. energy: -0.760
local terms energy: -89.620120
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -166.331137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.331137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.331137 (E_RNA)
where:
Base-Base interactions energy: -89.339
where: short stacking energy: -40.102
Base-Backbone interact. energy: -0.275
local terms energy: -76.716841
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -108.603032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.603032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.603032 (E_RNA)
where:
Base-Base interactions energy: -43.354
where: short stacking energy: -37.996
Base-Backbone interact. energy: -0.428
local terms energy: -64.820669
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -106.620610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.620610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.620610 (E_RNA)
where:
Base-Base interactions energy: -47.277
where: short stacking energy: -33.121
Base-Backbone interact. energy: 0.344
local terms energy: -59.687403
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -2.181
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -103.046444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.046444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.046444 (E_RNA)
where:
Base-Base interactions energy: -51.050
where: short stacking energy: -40.149
Base-Backbone interact. energy: -0.312
local terms energy: -51.684386
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: 0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -318.648863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.648863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.648863 (E_RNA)
where:
Base-Base interactions energy: -219.635
where: short stacking energy: -104.514
Base-Backbone interact. energy: -0.393
local terms energy: -98.621144
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -14.780
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: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -317.762572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.762572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.762572 (E_RNA)
where:
Base-Base interactions energy: -212.721
where: short stacking energy: -97.064
Base-Backbone interact. energy: -0.991
local terms energy: -104.051168
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -300.954377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.954377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.954377 (E_RNA)
where:
Base-Base interactions energy: -201.670
where: short stacking energy: -87.063
Base-Backbone interact. energy: -0.978
local terms energy: -98.306454
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -258.447517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.447517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.447517 (E_RNA)
where:
Base-Base interactions energy: -164.669
where: short stacking energy: -83.033
Base-Backbone interact. energy: -0.234
local terms energy: -93.544100
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -23.916
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: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -245.821078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.821078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.821078 (E_RNA)
where:
Base-Base interactions energy: -166.936
where: short stacking energy: -74.822
Base-Backbone interact. energy: -0.499
local terms energy: -78.386527
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -7.762
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: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -208.605414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.605414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.605414 (E_RNA)
where:
Base-Base interactions energy: -142.112
where: short stacking energy: -54.747
Base-Backbone interact. energy: 0.993
local terms energy: -67.486151
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -120.273495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.273495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.273495 (E_RNA)
where:
Base-Base interactions energy: -45.205
where: short stacking energy: -31.896
Base-Backbone interact. energy: 0.131
local terms energy: -75.199850
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -5.945
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: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -122.282965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.282965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.282965 (E_RNA)
where:
Base-Base interactions energy: -60.256
where: short stacking energy: -30.627
Base-Backbone interact. energy: -0.762
local terms energy: -61.264405
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: 1.830
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: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -113.495695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.495695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.495695 (E_RNA)
where:
Base-Base interactions energy: -51.642
where: short stacking energy: -34.058
Base-Backbone interact. energy: -0.400
local terms energy: -61.453972
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -0.018
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: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -101.385544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.385544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.385544 (E_RNA)
where:
Base-Base interactions energy: -40.517
where: short stacking energy: -34.147
Base-Backbone interact. energy: -0.946
local terms energy: -59.923010
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -1.179
tors. eta vs tors. theta energy: -3.314
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: 256
Temperature: 0.900000
Total energy: -313.687322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.687322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.687322 (E_RNA)
where:
Base-Base interactions energy: -214.163
where: short stacking energy: -93.375
Base-Backbone interact. energy: -0.659
local terms energy: -98.865201
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -23.654
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: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -309.627896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.627896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.627896 (E_RNA)
where:
Base-Base interactions energy: -207.883
where: short stacking energy: -84.875
Base-Backbone interact. energy: -1.341
local terms energy: -100.403352
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -23.898
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: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -296.198650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.198650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.198650 (E_RNA)
where:
Base-Base interactions energy: -202.633
where: short stacking energy: -80.328
Base-Backbone interact. energy: -0.129
local terms energy: -93.436571
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -295.629440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.629440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.629440 (E_RNA)
where:
Base-Base interactions energy: -194.845
where: short stacking energy: -94.527
Base-Backbone interact. energy: 1.671
local terms energy: -102.456011
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -235.452894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.452894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.452894 (E_RNA)
where:
Base-Base interactions energy: -147.871
where: short stacking energy: -72.256
Base-Backbone interact. energy: 0.430
local terms energy: -88.012292
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -177.642007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.642007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.642007 (E_RNA)
where:
Base-Base interactions energy: -106.457
where: short stacking energy: -77.468
Base-Backbone interact. energy: 2.571
local terms energy: -73.756440
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -7.823
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: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -113.428714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.428714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.428714 (E_RNA)
where:
Base-Base interactions energy: -55.640
where: short stacking energy: -35.083
Base-Backbone interact. energy: -0.605
local terms energy: -57.184072
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: 3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -116.312995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.312995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.312995 (E_RNA)
where:
Base-Base interactions energy: -50.185
where: short stacking energy: -46.065
Base-Backbone interact. energy: 1.710
local terms energy: -67.838631
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -129.779278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.779278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.779278 (E_RNA)
where:
Base-Base interactions energy: -64.022
where: short stacking energy: -46.516
Base-Backbone interact. energy: -0.307
local terms energy: -65.450852
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -98.076246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.076246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.076246 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.392
local terms energy: -62.928033
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -307.263373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.263373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.263373 (E_RNA)
where:
Base-Base interactions energy: -203.153
where: short stacking energy: -90.524
Base-Backbone interact. energy: -1.653
local terms energy: -102.457604
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -25.593
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: 257
Temperature: 0.950000
Total energy: -310.952502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.952502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.952502 (E_RNA)
where:
Base-Base interactions energy: -202.284
where: short stacking energy: -83.921
Base-Backbone interact. energy: -0.022
local terms energy: -108.646880
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -25.297
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -28.055
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: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -324.837458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.837458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.837458 (E_RNA)
where:
Base-Base interactions energy: -222.363
where: short stacking energy: -94.793
Base-Backbone interact. energy: -0.122
local terms energy: -102.351780
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -25.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -285.868818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.868818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.868818 (E_RNA)
where:
Base-Base interactions energy: -190.846
where: short stacking energy: -94.530
Base-Backbone interact. energy: -0.138
local terms energy: -94.884842
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -245.062776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.062776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.062776 (E_RNA)
where:
Base-Base interactions energy: -151.849
where: short stacking energy: -77.732
Base-Backbone interact. energy: -1.053
local terms energy: -92.161117
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -16.715
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: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -183.529601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.529601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.529601 (E_RNA)
where:
Base-Base interactions energy: -98.436
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.108
local terms energy: -84.985851
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -15.009
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: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -121.733017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.733017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.733017 (E_RNA)
where:
Base-Base interactions energy: -51.113
where: short stacking energy: -45.762
Base-Backbone interact. energy: -0.343
local terms energy: -70.276267
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -8.831
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: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -116.427897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.427897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.427897 (E_RNA)
where:
Base-Base interactions energy: -56.562
where: short stacking energy: -36.327
Base-Backbone interact. energy: -3.042
local terms energy: -56.823566
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -3.535
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: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -132.529306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.529306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.529306 (E_RNA)
where:
Base-Base interactions energy: -60.987
where: short stacking energy: -47.797
Base-Backbone interact. energy: -0.025
local terms energy: -71.518106
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -9.028
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -105.219104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.219104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.219104 (E_RNA)
where:
Base-Base interactions energy: -38.164
where: short stacking energy: -38.164
Base-Backbone interact. energy: -1.411
local terms energy: -65.643812
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -9.058
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: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -302.605147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.605147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.605147 (E_RNA)
where:
Base-Base interactions energy: -206.716
where: short stacking energy: -89.877
Base-Backbone interact. energy: -0.888
local terms energy: -95.001605
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -16.592
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: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -306.170423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.170423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.170423 (E_RNA)
where:
Base-Base interactions energy: -205.418
where: short stacking energy: -95.016
Base-Backbone interact. energy: -1.377
local terms energy: -99.375423
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -26.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -319.442088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.442088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.442088 (E_RNA)
where:
Base-Base interactions energy: -218.497
where: short stacking energy: -98.538
Base-Backbone interact. energy: -0.552
local terms energy: -100.393391
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -249.353057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.353057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.353057 (E_RNA)
where:
Base-Base interactions energy: -155.378
where: short stacking energy: -78.492
Base-Backbone interact. energy: -0.347
local terms energy: -93.628552
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -247.398117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.398117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.398117 (E_RNA)
where:
Base-Base interactions energy: -157.007
where: short stacking energy: -63.853
Base-Backbone interact. energy: -0.146
local terms energy: -90.244509
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -176.135788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.135788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.135788 (E_RNA)
where:
Base-Base interactions energy: -87.124
where: short stacking energy: -53.127
Base-Backbone interact. energy: 1.084
local terms energy: -90.095478
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -15.567
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -127.877791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.877791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.877791 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -50.707
Base-Backbone interact. energy: 1.565
local terms energy: -78.736057
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -108.857349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.857349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.857349 (E_RNA)
where:
Base-Base interactions energy: -45.657
where: short stacking energy: -45.657
Base-Backbone interact. energy: 0.086
local terms energy: -63.285836
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -8.882
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: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -108.734589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.734589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.734589 (E_RNA)
where:
Base-Base interactions energy: -48.047
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.852
local terms energy: -59.835504
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -133.049622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.049622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.049622 (E_RNA)
where:
Base-Base interactions energy: -63.883
where: short stacking energy: -45.322
Base-Backbone interact. energy: -0.039
local terms energy: -69.127851
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -13.788
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: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -324.614324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.614324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.614324 (E_RNA)
where:
Base-Base interactions energy: -217.142
where: short stacking energy: -93.553
Base-Backbone interact. energy: -0.499
local terms energy: -106.973347
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -29.119
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: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -313.180416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.180416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.180416 (E_RNA)
where:
Base-Base interactions energy: -212.973
where: short stacking energy: -98.526
Base-Backbone interact. energy: 0.429
local terms energy: -100.636490
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -302.910523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.910523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.910523 (E_RNA)
where:
Base-Base interactions energy: -200.649
where: short stacking energy: -94.194
Base-Backbone interact. energy: -0.496
local terms energy: -101.765467
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -248.431782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.431782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.431782 (E_RNA)
where:
Base-Base interactions energy: -154.104
where: short stacking energy: -76.014
Base-Backbone interact. energy: -1.263
local terms energy: -93.064533
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -239.391026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.391026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.391026 (E_RNA)
where:
Base-Base interactions energy: -150.646
where: short stacking energy: -76.011
Base-Backbone interact. energy: -0.112
local terms energy: -88.633760
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -153.115772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.115772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.115772 (E_RNA)
where:
Base-Base interactions energy: -75.600
where: short stacking energy: -49.484
Base-Backbone interact. energy: -1.287
local terms energy: -76.228517
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -135.555693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.555693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.555693 (E_RNA)
where:
Base-Base interactions energy: -61.792
where: short stacking energy: -52.402
Base-Backbone interact. energy: -0.147
local terms energy: -73.617123
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -125.032932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.032932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.032932 (E_RNA)
where:
Base-Base interactions energy: -61.363
where: short stacking energy: -41.368
Base-Backbone interact. energy: -0.141
local terms energy: -63.529277
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -105.582209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.582209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.582209 (E_RNA)
where:
Base-Base interactions energy: -39.107
where: short stacking energy: -23.575
Base-Backbone interact. energy: -0.288
local terms energy: -66.187076
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: 2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -101.589620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.589620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.589620 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -45.574
Base-Backbone interact. energy: 0.032
local terms energy: -53.926615
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: 0.213
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -329.963564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.963564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.963564 (E_RNA)
where:
Base-Base interactions energy: -215.942
where: short stacking energy: -95.032
Base-Backbone interact. energy: -0.075
local terms energy: -113.946140
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -321.889027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.889027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.889027 (E_RNA)
where:
Base-Base interactions energy: -211.544
where: short stacking energy: -89.020
Base-Backbone interact. energy: -0.596
local terms energy: -109.749098
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -297.510397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.510397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.510397 (E_RNA)
where:
Base-Base interactions energy: -200.337
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.441
local terms energy: -96.732400
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -25.200
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: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -254.272084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.272084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.272084 (E_RNA)
where:
Base-Base interactions energy: -155.327
where: short stacking energy: -80.872
Base-Backbone interact. energy: -1.010
local terms energy: -97.935340
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -24.931
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: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -251.465599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.465599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.465599 (E_RNA)
where:
Base-Base interactions energy: -153.471
where: short stacking energy: -72.290
Base-Backbone interact. energy: -0.726
local terms energy: -97.269043
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -141.471617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.471617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.471617 (E_RNA)
where:
Base-Base interactions energy: -58.013
where: short stacking energy: -44.535
Base-Backbone interact. energy: -0.328
local terms energy: -83.130388
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -134.354019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.354019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.354019 (E_RNA)
where:
Base-Base interactions energy: -59.022
where: short stacking energy: -47.385
Base-Backbone interact. energy: -1.222
local terms energy: -74.109962
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -8.260
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: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -148.508742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.508742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.508742 (E_RNA)
where:
Base-Base interactions energy: -79.994
where: short stacking energy: -41.719
Base-Backbone interact. energy: 0.781
local terms energy: -69.296409
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -5.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -108.366944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.366944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.366944 (E_RNA)
where:
Base-Base interactions energy: -44.545
where: short stacking energy: -35.421
Base-Backbone interact. energy: -0.190
local terms energy: -63.631083
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -4.820
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: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -115.233614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.233614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.233614 (E_RNA)
where:
Base-Base interactions energy: -41.246
where: short stacking energy: -41.246
Base-Backbone interact. energy: -0.111
local terms energy: -73.876223
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -327.556728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.556728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.556728 (E_RNA)
where:
Base-Base interactions energy: -229.419
where: short stacking energy: -89.337
Base-Backbone interact. energy: -0.338
local terms energy: -97.799004
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -317.339357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.339357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.339357 (E_RNA)
where:
Base-Base interactions energy: -210.492
where: short stacking energy: -97.458
Base-Backbone interact. energy: -1.130
local terms energy: -105.717613
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -291.373138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.373138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.373138 (E_RNA)
where:
Base-Base interactions energy: -189.651
where: short stacking energy: -73.007
Base-Backbone interact. energy: 1.905
local terms energy: -103.626864
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -23.648
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: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -264.060830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.060830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.060830 (E_RNA)
where:
Base-Base interactions energy: -185.846
where: short stacking energy: -71.894
Base-Backbone interact. energy: 1.804
local terms energy: -80.018618
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -232.784030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.784030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.784030 (E_RNA)
where:
Base-Base interactions energy: -145.700
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.625
local terms energy: -86.458730
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -12.203
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: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -158.217961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.217961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.217961 (E_RNA)
where:
Base-Base interactions energy: -79.176
where: short stacking energy: -54.898
Base-Backbone interact. energy: -0.164
local terms energy: -78.877868
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -4.780
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: 261
Temperature: 1.200000
Total energy: -110.427454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.427454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.427454 (E_RNA)
where:
Base-Base interactions energy: -45.059
where: short stacking energy: -20.877
Base-Backbone interact. energy: -0.550
local terms energy: -64.817693
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -100.560678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.560678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.560678 (E_RNA)
where:
Base-Base interactions energy: -31.506
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.396
local terms energy: -68.658657
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -6.681
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: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -117.833122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.833122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.833122 (E_RNA)
where:
Base-Base interactions energy: -46.710
where: short stacking energy: -45.949
Base-Backbone interact. energy: 0.478
local terms energy: -71.600522
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -92.953683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.953683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.953683 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -25.917
Base-Backbone interact. energy: -0.580
local terms energy: -58.868678
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -328.459161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.459161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.459161 (E_RNA)
where:
Base-Base interactions energy: -225.301
where: short stacking energy: -102.779
Base-Backbone interact. energy: -0.240
local terms energy: -102.918386
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -26.969
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: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -313.289564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.289564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.289564 (E_RNA)
where:
Base-Base interactions energy: -203.436
where: short stacking energy: -100.785
Base-Backbone interact. energy: 0.147
local terms energy: -110.000874
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -27.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -305.664099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.664099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.664099 (E_RNA)
where:
Base-Base interactions energy: -200.200
where: short stacking energy: -92.629
Base-Backbone interact. energy: -2.077
local terms energy: -103.386252
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -27.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -239.965070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.965070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.965070 (E_RNA)
where:
Base-Base interactions energy: -144.121
where: short stacking energy: -81.309
Base-Backbone interact. energy: -0.295
local terms energy: -95.549039
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -15.807
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: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -237.364098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.364098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.364098 (E_RNA)
where:
Base-Base interactions energy: -141.369
where: short stacking energy: -78.219
Base-Backbone interact. energy: -0.139
local terms energy: -95.856502
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -130.224662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.224662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.224662 (E_RNA)
where:
Base-Base interactions energy: -52.212
where: short stacking energy: -43.349
Base-Backbone interact. energy: -0.606
local terms energy: -77.406715
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -127.647534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.647534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.647534 (E_RNA)
where:
Base-Base interactions energy: -55.915
where: short stacking energy: -55.915
Base-Backbone interact. energy: -0.565
local terms energy: -71.167561
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -126.866092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.866092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.866092 (E_RNA)
where:
Base-Base interactions energy: -52.552
where: short stacking energy: -48.104
Base-Backbone interact. energy: -0.112
local terms energy: -74.202074
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -9.081
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: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -111.834096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.834096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.834096 (E_RNA)
where:
Base-Base interactions energy: -42.169
where: short stacking energy: -38.635
Base-Backbone interact. energy: -0.069
local terms energy: -69.596424
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -13.172
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -103.533241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.533241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.533241 (E_RNA)
where:
Base-Base interactions energy: -42.847
where: short stacking energy: -30.793
Base-Backbone interact. energy: -0.224
local terms energy: -60.462007
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -321.503095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.503095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.503095 (E_RNA)
where:
Base-Base interactions energy: -219.809
where: short stacking energy: -96.870
Base-Backbone interact. energy: -0.200
local terms energy: -101.494102
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -25.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -308.971626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.971626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.971626 (E_RNA)
where:
Base-Base interactions energy: -202.884
where: short stacking energy: -94.944
Base-Backbone interact. energy: 0.494
local terms energy: -106.582146
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -23.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -309.855526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.855526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.855526 (E_RNA)
where:
Base-Base interactions energy: -206.303
where: short stacking energy: -97.168
Base-Backbone interact. energy: -0.052
local terms energy: -103.500194
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -26.688
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: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -238.727960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.727960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.727960 (E_RNA)
where:
Base-Base interactions energy: -149.019
where: short stacking energy: -78.501
Base-Backbone interact. energy: -1.442
local terms energy: -88.266621
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -227.532180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.532180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.532180 (E_RNA)
where:
Base-Base interactions energy: -131.372
where: short stacking energy: -66.727
Base-Backbone interact. energy: -0.509
local terms energy: -95.651366
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -17.990
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: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -152.673129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.673129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.673129 (E_RNA)
where:
Base-Base interactions energy: -64.930
where: short stacking energy: -53.871
Base-Backbone interact. energy: -0.742
local terms energy: -87.001470
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -144.611876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.611876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.611876 (E_RNA)
where:
Base-Base interactions energy: -65.469
where: short stacking energy: -45.112
Base-Backbone interact. energy: -0.301
local terms energy: -78.842806
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -10.737
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: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -116.724900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.724900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.724900 (E_RNA)
where:
Base-Base interactions energy: -46.533
where: short stacking energy: -44.164
Base-Backbone interact. energy: -0.434
local terms energy: -69.757940
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -14.414
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: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -103.313388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.313388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.313388 (E_RNA)
where:
Base-Base interactions energy: -38.602
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.442
local terms energy: -64.270290
where:
bonds (distance) C4'-P energy: -8.205
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -10.203
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: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -115.068250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.068250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.068250 (E_RNA)
where:
Base-Base interactions energy: -45.347
where: short stacking energy: -37.957
Base-Backbone interact. energy: 0.604
local terms energy: -70.325489
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -4.773
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: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -329.579182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.579182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.579182 (E_RNA)
where:
Base-Base interactions energy: -225.747
where: short stacking energy: -90.042
Base-Backbone interact. energy: -0.334
local terms energy: -103.498316
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -27.456
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: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -310.635264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.635264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.635264 (E_RNA)
where:
Base-Base interactions energy: -207.411
where: short stacking energy: -92.368
Base-Backbone interact. energy: -0.157
local terms energy: -103.067661
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -15.245
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: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -306.160327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.160327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.160327 (E_RNA)
where:
Base-Base interactions energy: -203.517
where: short stacking energy: -95.863
Base-Backbone interact. energy: -0.116
local terms energy: -102.527296
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -267.207832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.207832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.207832 (E_RNA)
where:
Base-Base interactions energy: -175.966
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.700
local terms energy: -90.542144
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -218.709768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.709768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.709768 (E_RNA)
where:
Base-Base interactions energy: -128.791
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.223
local terms energy: -89.695668
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -133.907554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.907554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.907554 (E_RNA)
where:
Base-Base interactions energy: -51.776
where: short stacking energy: -41.887
Base-Backbone interact. energy: -0.687
local terms energy: -81.445235
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -137.271265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.271265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.271265 (E_RNA)
where:
Base-Base interactions energy: -71.215
where: short stacking energy: -48.942
Base-Backbone interact. energy: -0.868
local terms energy: -65.188340
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -100.694312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.694312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.694312 (E_RNA)
where:
Base-Base interactions energy: -42.738
where: short stacking energy: -23.722
Base-Backbone interact. energy: 0.263
local terms energy: -58.219617
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -12.425
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: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -102.490434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.490434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.490434 (E_RNA)
where:
Base-Base interactions energy: -35.343
where: short stacking energy: -29.825
Base-Backbone interact. energy: 1.110
local terms energy: -68.257593
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -130.380414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.380414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.380414 (E_RNA)
where:
Base-Base interactions energy: -69.693
where: short stacking energy: -40.865
Base-Backbone interact. energy: -0.109
local terms energy: -60.578452
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -10.519
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: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -333.978304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.978304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.978304 (E_RNA)
where:
Base-Base interactions energy: -226.039
where: short stacking energy: -104.689
Base-Backbone interact. energy: 0.017
local terms energy: -107.956208
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -25.586
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -25.323
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: 265
Temperature: 0.950000
Total energy: -302.764111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.764111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.764111 (E_RNA)
where:
Base-Base interactions energy: -199.593
where: short stacking energy: -88.140
Base-Backbone interact. energy: -1.108
local terms energy: -102.063747
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -23.724
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: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -296.453614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.453614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.453614 (E_RNA)
where:
Base-Base interactions energy: -195.793
where: short stacking energy: -91.995
Base-Backbone interact. energy: -0.382
local terms energy: -100.278653
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -23.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -266.642456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.642456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.642456 (E_RNA)
where:
Base-Base interactions energy: -181.066
where: short stacking energy: -80.159
Base-Backbone interact. energy: -0.235
local terms energy: -85.341112
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -231.257455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.257455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.257455 (E_RNA)
where:
Base-Base interactions energy: -138.114
where: short stacking energy: -75.117
Base-Backbone interact. energy: -0.760
local terms energy: -92.383199
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -20.174
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: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -127.431917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.431917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.431917 (E_RNA)
where:
Base-Base interactions energy: -49.290
where: short stacking energy: -44.074
Base-Backbone interact. energy: -0.157
local terms energy: -77.984858
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -12.726
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: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -137.426670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.426670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.426670 (E_RNA)
where:
Base-Base interactions energy: -64.558
where: short stacking energy: -47.699
Base-Backbone interact. energy: -0.402
local terms energy: -72.465854
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -142.709438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.709438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.709438 (E_RNA)
where:
Base-Base interactions energy: -75.518
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.227
local terms energy: -66.963618
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -3.681
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: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -128.189261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.189261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.189261 (E_RNA)
where:
Base-Base interactions energy: -51.046
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.728
local terms energy: -76.414814
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -11.139
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: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -119.163285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.163285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.163285 (E_RNA)
where:
Base-Base interactions energy: -52.907
where: short stacking energy: -52.517
Base-Backbone interact. energy: 0.153
local terms energy: -66.409183
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -320.972392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.972392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.972392 (E_RNA)
where:
Base-Base interactions energy: -210.470
where: short stacking energy: -98.133
Base-Backbone interact. energy: -1.779
local terms energy: -108.723354
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -25.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -321.349593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.349593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.349593 (E_RNA)
where:
Base-Base interactions energy: -216.802
where: short stacking energy: -90.693
Base-Backbone interact. energy: -0.343
local terms energy: -104.204663
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -24.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -299.408635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.408635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.408635 (E_RNA)
where:
Base-Base interactions energy: -195.956
where: short stacking energy: -85.407
Base-Backbone interact. energy: -0.231
local terms energy: -103.220781
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -25.176
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: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -266.933938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.933938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.933938 (E_RNA)
where:
Base-Base interactions energy: -172.341
where: short stacking energy: -81.139
Base-Backbone interact. energy: -0.933
local terms energy: -93.660826
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -225.854467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.854467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.854467 (E_RNA)
where:
Base-Base interactions energy: -136.771
where: short stacking energy: -60.179
Base-Backbone interact. energy: -0.052
local terms energy: -89.031416
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -162.948732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.948732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.948732 (E_RNA)
where:
Base-Base interactions energy: -88.201
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.175
local terms energy: -74.572442
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -10.294
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: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -128.720315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.720315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.720315 (E_RNA)
where:
Base-Base interactions energy: -53.923
where: short stacking energy: -53.346
Base-Backbone interact. energy: 0.094
local terms energy: -74.891863
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -13.461
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: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -118.377040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.377040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.377040 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -37.189
Base-Backbone interact. energy: -0.139
local terms energy: -76.871163
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -113.363435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.363435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.363435 (E_RNA)
where:
Base-Base interactions energy: -44.285
where: short stacking energy: -44.285
Base-Backbone interact. energy: -0.145
local terms energy: -68.933200
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -101.200521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.200521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.200521 (E_RNA)
where:
Base-Base interactions energy: -32.754
where: short stacking energy: -28.223
Base-Backbone interact. energy: -0.228
local terms energy: -68.218146
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -312.089745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.089745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.089745 (E_RNA)
where:
Base-Base interactions energy: -214.274
where: short stacking energy: -89.504
Base-Backbone interact. energy: -1.020
local terms energy: -96.795772
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -22.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -320.166356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.166356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.166356 (E_RNA)
where:
Base-Base interactions energy: -219.847
where: short stacking energy: -97.517
Base-Backbone interact. energy: -0.631
local terms energy: -99.688321
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -309.229962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.229962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.229962 (E_RNA)
where:
Base-Base interactions energy: -209.509
where: short stacking energy: -93.538
Base-Backbone interact. energy: -0.299
local terms energy: -99.421961
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -250.158049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.158049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.158049 (E_RNA)
where:
Base-Base interactions energy: -159.127
where: short stacking energy: -76.795
Base-Backbone interact. energy: -0.296
local terms energy: -90.734252
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -12.198
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: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -225.709239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.709239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.709239 (E_RNA)
where:
Base-Base interactions energy: -136.810
where: short stacking energy: -71.181
Base-Backbone interact. energy: -0.463
local terms energy: -88.435485
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -22.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -176.076966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.076966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.076966 (E_RNA)
where:
Base-Base interactions energy: -95.642
where: short stacking energy: -58.894
Base-Backbone interact. energy: -1.430
local terms energy: -79.004113
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -124.676875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.676875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.676875 (E_RNA)
where:
Base-Base interactions energy: -49.355
where: short stacking energy: -32.577
Base-Backbone interact. energy: -0.631
local terms energy: -74.690832
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -117.786645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.786645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.786645 (E_RNA)
where:
Base-Base interactions energy: -58.265
where: short stacking energy: -37.993
Base-Backbone interact. energy: -0.479
local terms energy: -59.043182
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: 3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -120.270087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.270087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.270087 (E_RNA)
where:
Base-Base interactions energy: -51.163
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.630
local terms energy: -68.477311
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -1.514
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: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -95.064714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.064714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.064714 (E_RNA)
where:
Base-Base interactions energy: -30.094
where: short stacking energy: -30.094
Base-Backbone interact. energy: -0.301
local terms energy: -64.669345
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -322.966670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.966670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.966670 (E_RNA)
where:
Base-Base interactions energy: -211.357
where: short stacking energy: -93.791
Base-Backbone interact. energy: -0.212
local terms energy: -111.397229
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -23.254
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: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -310.861358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.861358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.861358 (E_RNA)
where:
Base-Base interactions energy: -216.121
where: short stacking energy: -93.964
Base-Backbone interact. energy: -0.713
local terms energy: -94.026965
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -22.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -313.911219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.911219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.911219 (E_RNA)
where:
Base-Base interactions energy: -217.532
where: short stacking energy: -89.898
Base-Backbone interact. energy: -0.517
local terms energy: -95.861672
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -25.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -252.339634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.339634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.339634 (E_RNA)
where:
Base-Base interactions energy: -148.876
where: short stacking energy: -89.518
Base-Backbone interact. energy: -0.872
local terms energy: -102.591474
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -26.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -251.876982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.876982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.876982 (E_RNA)
where:
Base-Base interactions energy: -159.596
where: short stacking energy: -85.417
Base-Backbone interact. energy: -0.709
local terms energy: -91.571543
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -180.981538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.981538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.981538 (E_RNA)
where:
Base-Base interactions energy: -92.502
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.144
local terms energy: -88.335382
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -10.894
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: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -140.098377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.098377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.098377 (E_RNA)
where:
Base-Base interactions energy: -58.812
where: short stacking energy: -50.089
Base-Backbone interact. energy: -0.279
local terms energy: -81.007341
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -9.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -131.342961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.342961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.342961 (E_RNA)
where:
Base-Base interactions energy: -57.492
where: short stacking energy: -45.099
Base-Backbone interact. energy: -0.285
local terms energy: -73.565595
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -101.982026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.982026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.982026 (E_RNA)
where:
Base-Base interactions energy: -31.375
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.862
local terms energy: -69.745840
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -6.591
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -109.347686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.347686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.347686 (E_RNA)
where:
Base-Base interactions energy: -52.047
where: short stacking energy: -43.972
Base-Backbone interact. energy: 2.526
local terms energy: -59.826868
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -331.231874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.231874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.231874 (E_RNA)
where:
Base-Base interactions energy: -219.954
where: short stacking energy: -96.439
Base-Backbone interact. energy: -1.200
local terms energy: -110.077368
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -24.881
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -27.938
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -306.287854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.287854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.287854 (E_RNA)
where:
Base-Base interactions energy: -201.769
where: short stacking energy: -90.591
Base-Backbone interact. energy: -0.571
local terms energy: -103.947425
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -25.212
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: 269
Temperature: 1.000000
Total energy: -301.287449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.287449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.287449 (E_RNA)
where:
Base-Base interactions energy: -204.931
where: short stacking energy: -94.840
Base-Backbone interact. energy: -0.332
local terms energy: -96.024379
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -244.804345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.804345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.804345 (E_RNA)
where:
Base-Base interactions energy: -153.920
where: short stacking energy: -77.811
Base-Backbone interact. energy: 0.031
local terms energy: -90.914870
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -16.179
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: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -254.591553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.591553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.591553 (E_RNA)
where:
Base-Base interactions energy: -163.915
where: short stacking energy: -74.124
Base-Backbone interact. energy: 0.731
local terms energy: -91.407728
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -124.331435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.331435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.331435 (E_RNA)
where:
Base-Base interactions energy: -57.421
where: short stacking energy: -53.697
Base-Backbone interact. energy: 1.207
local terms energy: -68.118205
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -144.641653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.641653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.641653 (E_RNA)
where:
Base-Base interactions energy: -74.033
where: short stacking energy: -36.489
Base-Backbone interact. energy: -0.624
local terms energy: -69.984348
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -113.332085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.332085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.332085 (E_RNA)
where:
Base-Base interactions energy: -62.889
where: short stacking energy: -43.987
Base-Backbone interact. energy: -0.076
local terms energy: -50.366666
where:
bonds (distance) C4'-P energy: -3.103
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -112.657157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.657157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.657157 (E_RNA)
where:
Base-Base interactions energy: -56.526
where: short stacking energy: -40.338
Base-Backbone interact. energy: -0.110
local terms energy: -56.021686
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -105.474604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.474604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.474604 (E_RNA)
where:
Base-Base interactions energy: -43.121
where: short stacking energy: -42.581
Base-Backbone interact. energy: -0.014
local terms energy: -62.339416
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -310.445367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.445367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.445367 (E_RNA)
where:
Base-Base interactions energy: -203.596
where: short stacking energy: -98.166
Base-Backbone interact. energy: -1.053
local terms energy: -105.797335
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -23.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -317.284377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.284377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.284377 (E_RNA)
where:
Base-Base interactions energy: -217.079
where: short stacking energy: -99.691
Base-Backbone interact. energy: -0.330
local terms energy: -99.875256
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -25.026
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: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -312.557124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.557124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.557124 (E_RNA)
where:
Base-Base interactions energy: -210.308
where: short stacking energy: -99.984
Base-Backbone interact. energy: 0.747
local terms energy: -102.996202
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -28.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -226.058407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.058407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.058407 (E_RNA)
where:
Base-Base interactions energy: -147.541
where: short stacking energy: -76.226
Base-Backbone interact. energy: -0.149
local terms energy: -78.367945
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -251.900861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.900861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.900861 (E_RNA)
where:
Base-Base interactions energy: -165.847
where: short stacking energy: -80.752
Base-Backbone interact. energy: -0.613
local terms energy: -85.441264
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -155.012694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.012694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.012694 (E_RNA)
where:
Base-Base interactions energy: -73.638
where: short stacking energy: -54.547
Base-Backbone interact. energy: 0.400
local terms energy: -81.774971
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -11.257
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: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -145.395072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.395072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.395072 (E_RNA)
where:
Base-Base interactions energy: -72.343
where: short stacking energy: -40.228
Base-Backbone interact. energy: -0.176
local terms energy: -72.876425
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -113.951032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.951032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.951032 (E_RNA)
where:
Base-Base interactions energy: -47.917
where: short stacking energy: -33.579
Base-Backbone interact. energy: -1.610
local terms energy: -64.423645
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -2.725
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: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -110.960470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.960470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.960470 (E_RNA)
where:
Base-Base interactions energy: -41.347
where: short stacking energy: -35.205
Base-Backbone interact. energy: -0.183
local terms energy: -69.429869
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: 0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -105.381133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.381133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.381133 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -37.802
Base-Backbone interact. energy: -0.088
local terms energy: -63.736075
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -310.857897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.857897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.857897 (E_RNA)
where:
Base-Base interactions energy: -201.425
where: short stacking energy: -91.698
Base-Backbone interact. energy: -1.109
local terms energy: -108.324257
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -309.293768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.293768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.293768 (E_RNA)
where:
Base-Base interactions energy: -204.290
where: short stacking energy: -92.508
Base-Backbone interact. energy: -0.384
local terms energy: -104.619467
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -28.421
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: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -289.363087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.363087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.363087 (E_RNA)
where:
Base-Base interactions energy: -188.565
where: short stacking energy: -86.707
Base-Backbone interact. energy: -1.581
local terms energy: -99.216930
where:
bonds (distance) C4'-P energy: -23.966
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -247.906633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.906633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.906633 (E_RNA)
where:
Base-Base interactions energy: -148.832
where: short stacking energy: -79.427
Base-Backbone interact. energy: -0.111
local terms energy: -98.963142
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -227.486839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.486839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.486839 (E_RNA)
where:
Base-Base interactions energy: -136.916
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.033
local terms energy: -90.537634
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -170.547299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.547299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.547299 (E_RNA)
where:
Base-Base interactions energy: -93.787
where: short stacking energy: -67.010
Base-Backbone interact. energy: 1.257
local terms energy: -78.017311
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -144.223266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.223266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.223266 (E_RNA)
where:
Base-Base interactions energy: -89.152
where: short stacking energy: -47.921
Base-Backbone interact. energy: -0.288
local terms energy: -54.782895
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -128.315873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.315873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.315873 (E_RNA)
where:
Base-Base interactions energy: -46.614
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.300
local terms energy: -81.401555
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -15.482
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: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -95.121353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.121353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.121353 (E_RNA)
where:
Base-Base interactions energy: -40.092
where: short stacking energy: -35.095
Base-Backbone interact. energy: -0.293
local terms energy: -54.736504
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -102.194835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.194835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.194835 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -32.530
Base-Backbone interact. energy: 1.225
local terms energy: -71.070488
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -13.438
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: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -338.447934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.447934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.447934 (E_RNA)
where:
Base-Base interactions energy: -227.268
where: short stacking energy: -96.915
Base-Backbone interact. energy: -0.025
local terms energy: -111.154963
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -26.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -315.600401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.600401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.600401 (E_RNA)
where:
Base-Base interactions energy: -217.861
where: short stacking energy: -100.305
Base-Backbone interact. energy: -1.942
local terms energy: -95.797460
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -25.351
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: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -295.746265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.746265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.746265 (E_RNA)
where:
Base-Base interactions energy: -204.085
where: short stacking energy: -85.558
Base-Backbone interact. energy: -0.305
local terms energy: -91.355620
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -15.015
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: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -252.819468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.819468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.819468 (E_RNA)
where:
Base-Base interactions energy: -158.562
where: short stacking energy: -80.083
Base-Backbone interact. energy: -0.044
local terms energy: -94.213175
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -23.819
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -225.621246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.621246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.621246 (E_RNA)
where:
Base-Base interactions energy: -138.029
where: short stacking energy: -70.642
Base-Backbone interact. energy: 0.541
local terms energy: -88.132389
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -18.011
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: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -189.213956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.213956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.213956 (E_RNA)
where:
Base-Base interactions energy: -102.286
where: short stacking energy: -70.527
Base-Backbone interact. energy: -0.226
local terms energy: -86.702624
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -14.259
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: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -124.076198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.076198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.076198 (E_RNA)
where:
Base-Base interactions energy: -52.190
where: short stacking energy: -50.214
Base-Backbone interact. energy: 0.656
local terms energy: -72.541583
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -120.931855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.931855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.931855 (E_RNA)
where:
Base-Base interactions energy: -53.729
where: short stacking energy: -31.137
Base-Backbone interact. energy: 0.234
local terms energy: -67.437286
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -12.104
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: 272
Temperature: 1.300000
Total energy: -112.627070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.627070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.627070 (E_RNA)
where:
Base-Base interactions energy: -50.245
where: short stacking energy: -45.438
Base-Backbone interact. energy: 1.644
local terms energy: -64.025178
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -114.501441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.501441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.501441 (E_RNA)
where:
Base-Base interactions energy: -58.036
where: short stacking energy: -40.974
Base-Backbone interact. energy: -0.564
local terms energy: -55.901559
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -336.101658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.101658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.101658 (E_RNA)
where:
Base-Base interactions energy: -228.480
where: short stacking energy: -99.716
Base-Backbone interact. energy: 0.650
local terms energy: -108.272233
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -28.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -307.320643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.320643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.320643 (E_RNA)
where:
Base-Base interactions energy: -206.200
where: short stacking energy: -88.062
Base-Backbone interact. energy: -0.473
local terms energy: -100.647292
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -16.468
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: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -297.178882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.178882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.178882 (E_RNA)
where:
Base-Base interactions energy: -197.986
where: short stacking energy: -88.134
Base-Backbone interact. energy: -0.657
local terms energy: -98.535844
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -260.359258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.359258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.359258 (E_RNA)
where:
Base-Base interactions energy: -157.899
where: short stacking energy: -78.959
Base-Backbone interact. energy: -0.032
local terms energy: -102.427878
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -22.114
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: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -238.059411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.059411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.059411 (E_RNA)
where:
Base-Base interactions energy: -141.678
where: short stacking energy: -70.033
Base-Backbone interact. energy: -1.544
local terms energy: -94.837558
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -20.733
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: 273
Temperature: 1.150000
Total energy: -137.657993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.657993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.657993 (E_RNA)
where:
Base-Base interactions energy: -58.946
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.334
local terms energy: -78.378481
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -10.374
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: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -174.820966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.820966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.820966 (E_RNA)
where:
Base-Base interactions energy: -104.271
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.273
local terms energy: -70.277230
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -124.053126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.053126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.053126 (E_RNA)
where:
Base-Base interactions energy: -54.922
where: short stacking energy: -52.057
Base-Backbone interact. energy: 0.503
local terms energy: -69.633964
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -3.298
tors. eta vs tors. theta energy: -8.770
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -101.240720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.240720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.240720 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.983
local terms energy: -64.124025
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -93.906675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.906675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.906675 (E_RNA)
where:
Base-Base interactions energy: -28.151
where: short stacking energy: -25.669
Base-Backbone interact. energy: -0.583
local terms energy: -65.172784
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -333.703533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.703533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.703533 (E_RNA)
where:
Base-Base interactions energy: -223.378
where: short stacking energy: -95.190
Base-Backbone interact. energy: -0.200
local terms energy: -110.126199
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -29.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -319.563286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.563286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.563286 (E_RNA)
where:
Base-Base interactions energy: -222.027
where: short stacking energy: -97.936
Base-Backbone interact. energy: 1.516
local terms energy: -99.052185
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -17.585
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: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -308.764180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.764180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.764180 (E_RNA)
where:
Base-Base interactions energy: -210.851
where: short stacking energy: -93.438
Base-Backbone interact. energy: -0.405
local terms energy: -97.508490
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -25.606
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: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -260.716110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.716110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.716110 (E_RNA)
where:
Base-Base interactions energy: -160.306
where: short stacking energy: -87.139
Base-Backbone interact. energy: -0.013
local terms energy: -100.397467
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -245.438435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.438435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.438435 (E_RNA)
where:
Base-Base interactions energy: -150.517
where: short stacking energy: -75.374
Base-Backbone interact. energy: 0.365
local terms energy: -95.286426
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -19.647
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: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -131.763436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.763436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.763436 (E_RNA)
where:
Base-Base interactions energy: -54.885
where: short stacking energy: -53.998
Base-Backbone interact. energy: -0.146
local terms energy: -76.731955
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -116.379797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.379797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.379797 (E_RNA)
where:
Base-Base interactions energy: -49.288
where: short stacking energy: -49.288
Base-Backbone interact. energy: -0.654
local terms energy: -66.437297
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -5.148
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: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -147.211624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.211624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.211624 (E_RNA)
where:
Base-Base interactions energy: -69.168
where: short stacking energy: -42.960
Base-Backbone interact. energy: -0.230
local terms energy: -77.813611
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -7.533
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: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -107.226214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.226214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.226214 (E_RNA)
where:
Base-Base interactions energy: -42.169
where: short stacking energy: -42.369
Base-Backbone interact. energy: 1.044
local terms energy: -66.101691
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -100.356893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.356893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.356893 (E_RNA)
where:
Base-Base interactions energy: -44.121
where: short stacking energy: -36.834
Base-Backbone interact. energy: 0.775
local terms energy: -57.010903
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: 7.641
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: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -327.533401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.533401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.533401 (E_RNA)
where:
Base-Base interactions energy: -219.596
where: short stacking energy: -97.502
Base-Backbone interact. energy: -0.226
local terms energy: -107.712019
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -27.475
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: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -316.814889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.814889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.814889 (E_RNA)
where:
Base-Base interactions energy: -211.093
where: short stacking energy: -97.046
Base-Backbone interact. energy: -0.198
local terms energy: -105.523849
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -25.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -290.109069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.109069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.109069 (E_RNA)
where:
Base-Base interactions energy: -198.439
where: short stacking energy: -82.917
Base-Backbone interact. energy: -0.992
local terms energy: -90.678087
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -22.245
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: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -251.587106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.587106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.587106 (E_RNA)
where:
Base-Base interactions energy: -158.966
where: short stacking energy: -83.743
Base-Backbone interact. energy: -0.522
local terms energy: -92.099362
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -15.565
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: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -230.864055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.864055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.864055 (E_RNA)
where:
Base-Base interactions energy: -127.963
where: short stacking energy: -75.338
Base-Backbone interact. energy: -0.107
local terms energy: -102.793676
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -20.419
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: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -122.467565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.467565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.467565 (E_RNA)
where:
Base-Base interactions energy: -56.804
where: short stacking energy: -51.722
Base-Backbone interact. energy: 0.557
local terms energy: -66.220149
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -132.651395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.651395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.651395 (E_RNA)
where:
Base-Base interactions energy: -50.318
where: short stacking energy: -50.318
Base-Backbone interact. energy: -0.113
local terms energy: -82.219571
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -11.221
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: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -106.600170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.600170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.600170 (E_RNA)
where:
Base-Base interactions energy: -34.298
where: short stacking energy: -32.221
Base-Backbone interact. energy: 0.302
local terms energy: -72.604170
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -114.218598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.218598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.218598 (E_RNA)
where:
Base-Base interactions energy: -45.399
where: short stacking energy: -45.399
Base-Backbone interact. energy: -0.236
local terms energy: -68.583388
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -111.566358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.566358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.566358 (E_RNA)
where:
Base-Base interactions energy: -45.816
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.254
local terms energy: -65.496246
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -331.730564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.730564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.730564 (E_RNA)
where:
Base-Base interactions energy: -227.218
where: short stacking energy: -97.947
Base-Backbone interact. energy: -0.189
local terms energy: -104.323507
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -26.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -323.175343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.175343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.175343 (E_RNA)
where:
Base-Base interactions energy: -220.010
where: short stacking energy: -90.619
Base-Backbone interact. energy: -0.206
local terms energy: -102.960086
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -20.410
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: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -299.472969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.472969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.472969 (E_RNA)
where:
Base-Base interactions energy: -198.554
where: short stacking energy: -82.304
Base-Backbone interact. energy: -1.759
local terms energy: -99.159669
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -24.731
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: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -260.084416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.084416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.084416 (E_RNA)
where:
Base-Base interactions energy: -167.932
where: short stacking energy: -82.105
Base-Backbone interact. energy: 1.256
local terms energy: -93.408210
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -233.470896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.470896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.470896 (E_RNA)
where:
Base-Base interactions energy: -155.206
where: short stacking energy: -80.323
Base-Backbone interact. energy: -0.068
local terms energy: -78.196980
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -130.169350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.169350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.169350 (E_RNA)
where:
Base-Base interactions energy: -58.164
where: short stacking energy: -55.581
Base-Backbone interact. energy: -0.152
local terms energy: -71.853089
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -138.522302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.522302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.522302 (E_RNA)
where:
Base-Base interactions energy: -67.509
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.190
local terms energy: -70.823955
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -9.645
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: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -116.611294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.611294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.611294 (E_RNA)
where:
Base-Base interactions energy: -52.121
where: short stacking energy: -47.607
Base-Backbone interact. energy: -0.141
local terms energy: -64.349604
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -7.500
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: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -122.868099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.868099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.868099 (E_RNA)
where:
Base-Base interactions energy: -48.141
where: short stacking energy: -33.831
Base-Backbone interact. energy: -1.225
local terms energy: -73.501958
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: 0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -105.691915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.691915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.691915 (E_RNA)
where:
Base-Base interactions energy: -57.975
where: short stacking energy: -33.806
Base-Backbone interact. energy: 0.268
local terms energy: -47.985076
where:
bonds (distance) C4'-P energy: -7.625
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -1.074
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: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -321.137058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.137058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.137058 (E_RNA)
where:
Base-Base interactions energy: -210.838
where: short stacking energy: -96.602
Base-Backbone interact. energy: -0.127
local terms energy: -110.172609
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -315.947134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.947134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.947134 (E_RNA)
where:
Base-Base interactions energy: -208.932
where: short stacking energy: -93.305
Base-Backbone interact. energy: -1.003
local terms energy: -106.011762
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -24.469
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: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -306.262720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.262720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.262720 (E_RNA)
where:
Base-Base interactions energy: -199.265
where: short stacking energy: -92.685
Base-Backbone interact. energy: 0.019
local terms energy: -107.016904
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -27.241
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: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -241.303087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.303087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.303087 (E_RNA)
where:
Base-Base interactions energy: -145.891
where: short stacking energy: -79.152
Base-Backbone interact. energy: -0.097
local terms energy: -95.315153
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -226.599478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.599478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.599478 (E_RNA)
where:
Base-Base interactions energy: -131.687
where: short stacking energy: -61.733
Base-Backbone interact. energy: -1.168
local terms energy: -93.744404
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -131.158340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.158340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.158340 (E_RNA)
where:
Base-Base interactions energy: -60.045
where: short stacking energy: -41.365
Base-Backbone interact. energy: -0.060
local terms energy: -71.053455
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -133.260138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.260138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.260138 (E_RNA)
where:
Base-Base interactions energy: -60.117
where: short stacking energy: -51.664
Base-Backbone interact. energy: -1.724
local terms energy: -71.419778
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -115.133654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.133654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.133654 (E_RNA)
where:
Base-Base interactions energy: -48.307
where: short stacking energy: -37.046
Base-Backbone interact. energy: -0.260
local terms energy: -66.566494
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -109.363185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.363185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.363185 (E_RNA)
where:
Base-Base interactions energy: -40.276
where: short stacking energy: -40.511
Base-Backbone interact. energy: -0.176
local terms energy: -68.911736
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -110.353959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.353959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.353959 (E_RNA)
where:
Base-Base interactions energy: -42.551
where: short stacking energy: -35.699
Base-Backbone interact. energy: -0.157
local terms energy: -67.645422
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -2.499
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: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -323.502899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.502899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.502899 (E_RNA)
where:
Base-Base interactions energy: -218.545
where: short stacking energy: -89.278
Base-Backbone interact. energy: 0.108
local terms energy: -105.065039
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -302.339624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.339624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.339624 (E_RNA)
where:
Base-Base interactions energy: -203.441
where: short stacking energy: -84.321
Base-Backbone interact. energy: -0.157
local terms energy: -98.742357
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -24.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -309.296223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.296223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.296223 (E_RNA)
where:
Base-Base interactions energy: -202.986
where: short stacking energy: -94.104
Base-Backbone interact. energy: -1.396
local terms energy: -104.913313
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -25.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -250.195376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.195376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.195376 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -74.477
Base-Backbone interact. energy: -0.078
local terms energy: -95.057417
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -220.415236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.415236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.415236 (E_RNA)
where:
Base-Base interactions energy: -141.596
where: short stacking energy: -66.341
Base-Backbone interact. energy: -0.524
local terms energy: -78.295428
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -7.372
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: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -137.782638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.782638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.782638 (E_RNA)
where:
Base-Base interactions energy: -56.733
where: short stacking energy: -56.733
Base-Backbone interact. energy: -0.138
local terms energy: -80.911000
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -6.386
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: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -130.371490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.371490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.371490 (E_RNA)
where:
Base-Base interactions energy: -55.845
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.325
local terms energy: -74.201248
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -8.113
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: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -110.192279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.192279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.192279 (E_RNA)
where:
Base-Base interactions energy: -37.249
where: short stacking energy: -32.580
Base-Backbone interact. energy: 1.871
local terms energy: -74.814521
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -24.800
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -103.702479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.702479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.702479 (E_RNA)
where:
Base-Base interactions energy: -37.292
where: short stacking energy: -37.292
Base-Backbone interact. energy: -1.724
local terms energy: -64.686497
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -3.817
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: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -103.730356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.730356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.730356 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -36.905
Base-Backbone interact. energy: -0.383
local terms energy: -67.046752
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -327.512374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.512374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.512374 (E_RNA)
where:
Base-Base interactions energy: -222.530
where: short stacking energy: -98.030
Base-Backbone interact. energy: 0.079
local terms energy: -105.061790
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -26.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -311.682038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.682038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.682038 (E_RNA)
where:
Base-Base interactions energy: -200.425
where: short stacking energy: -99.387
Base-Backbone interact. energy: -0.984
local terms energy: -110.273493
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -28.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -302.768271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.768271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.768271 (E_RNA)
where:
Base-Base interactions energy: -197.743
where: short stacking energy: -84.337
Base-Backbone interact. energy: -1.868
local terms energy: -103.158085
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -242.487513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.487513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.487513 (E_RNA)
where:
Base-Base interactions energy: -146.055
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.070
local terms energy: -96.362709
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -12.932
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: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -235.897039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.897039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.897039 (E_RNA)
where:
Base-Base interactions energy: -141.445
where: short stacking energy: -77.360
Base-Backbone interact. energy: -0.699
local terms energy: -93.752134
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -17.369
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: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -143.301801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.301801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.301801 (E_RNA)
where:
Base-Base interactions energy: -67.521
where: short stacking energy: -40.692
Base-Backbone interact. energy: -0.242
local terms energy: -75.538759
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -14.837
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: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -176.700547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.700547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.700547 (E_RNA)
where:
Base-Base interactions energy: -95.363
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.425
local terms energy: -80.912147
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -109.635484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.635484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.635484 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -39.496
Base-Backbone interact. energy: -0.194
local terms energy: -64.950635
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -121.475404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.475404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.475404 (E_RNA)
where:
Base-Base interactions energy: -51.834
where: short stacking energy: -42.061
Base-Backbone interact. energy: -0.454
local terms energy: -69.188172
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -10.431
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: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -111.565380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.565380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.565380 (E_RNA)
where:
Base-Base interactions energy: -45.561
where: short stacking energy: -45.561
Base-Backbone interact. energy: -0.386
local terms energy: -65.618671
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -315.483629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.483629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.483629 (E_RNA)
where:
Base-Base interactions energy: -212.691
where: short stacking energy: -96.545
Base-Backbone interact. energy: -0.170
local terms energy: -102.622634
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -323.528916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.528916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.528916 (E_RNA)
where:
Base-Base interactions energy: -219.234
where: short stacking energy: -95.500
Base-Backbone interact. energy: -0.165
local terms energy: -104.129365
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -24.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -296.081195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.081195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.081195 (E_RNA)
where:
Base-Base interactions energy: -187.076
where: short stacking energy: -74.530
Base-Backbone interact. energy: -1.511
local terms energy: -107.494254
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -240.649965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.649965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.649965 (E_RNA)
where:
Base-Base interactions energy: -155.221
where: short stacking energy: -86.644
Base-Backbone interact. energy: -0.018
local terms energy: -85.411314
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -12.152
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: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -225.150619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.150619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.150619 (E_RNA)
where:
Base-Base interactions energy: -137.596
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.456
local terms energy: -87.098028
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -14.942
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: 280
Temperature: 1.150000
Total energy: -142.702538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.702538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.702538 (E_RNA)
where:
Base-Base interactions energy: -56.744
where: short stacking energy: -46.377
Base-Backbone interact. energy: -0.352
local terms energy: -85.606955
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -12.804
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: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -113.845514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.845514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.845514 (E_RNA)
where:
Base-Base interactions energy: -44.739
where: short stacking energy: -44.739
Base-Backbone interact. energy: -0.137
local terms energy: -68.969840
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -9.566
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: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -125.121528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.121528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.121528 (E_RNA)
where:
Base-Base interactions energy: -62.450
where: short stacking energy: -35.649
Base-Backbone interact. energy: -0.245
local terms energy: -62.427144
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: 2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -101.705867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.705867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.705867 (E_RNA)
where:
Base-Base interactions energy: -40.823
where: short stacking energy: -38.236
Base-Backbone interact. energy: -1.055
local terms energy: -59.828283
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -102.012218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.012218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.012218 (E_RNA)
where:
Base-Base interactions energy: -35.575
where: short stacking energy: -27.423
Base-Backbone interact. energy: -0.098
local terms energy: -66.338486
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -1.790
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -322.999738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.999738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.999738 (E_RNA)
where:
Base-Base interactions energy: -222.215
where: short stacking energy: -98.004
Base-Backbone interact. energy: 0.497
local terms energy: -101.281432
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -319.287092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.287092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.287092 (E_RNA)
where:
Base-Base interactions energy: -208.103
where: short stacking energy: -92.870
Base-Backbone interact. energy: 0.093
local terms energy: -111.276796
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -24.113
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -27.667
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: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -282.112555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.112555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.112555 (E_RNA)
where:
Base-Base interactions energy: -188.731
where: short stacking energy: -85.124
Base-Backbone interact. energy: -0.572
local terms energy: -92.809596
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -13.753
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: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -244.908626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.908626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.908626 (E_RNA)
where:
Base-Base interactions energy: -151.709
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.111
local terms energy: -93.088330
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -14.477
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: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -253.654692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.654692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.654692 (E_RNA)
where:
Base-Base interactions energy: -147.640
where: short stacking energy: -88.979
Base-Backbone interact. energy: -0.255
local terms energy: -105.759715
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -25.854
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: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -124.103968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.103968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.103968 (E_RNA)
where:
Base-Base interactions energy: -60.565
where: short stacking energy: -45.616
Base-Backbone interact. energy: 0.097
local terms energy: -63.635594
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -1.994
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: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -109.772987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.772987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.772987 (E_RNA)
where:
Base-Base interactions energy: -43.468
where: short stacking energy: -39.198
Base-Backbone interact. energy: -1.026
local terms energy: -65.279169
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -111.517854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.517854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.517854 (E_RNA)
where:
Base-Base interactions energy: -46.323
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.185
local terms energy: -65.010166
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -117.547086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.547086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.547086 (E_RNA)
where:
Base-Base interactions energy: -50.630
where: short stacking energy: -45.952
Base-Backbone interact. energy: -0.027
local terms energy: -66.889449
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -116.578871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.578871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.578871 (E_RNA)
where:
Base-Base interactions energy: -46.142
where: short stacking energy: -42.170
Base-Backbone interact. energy: -0.133
local terms energy: -70.303465
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -317.396348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.396348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.396348 (E_RNA)
where:
Base-Base interactions energy: -214.032
where: short stacking energy: -98.381
Base-Backbone interact. energy: -0.301
local terms energy: -103.063246
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -25.246
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: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -311.534746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.534746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.534746 (E_RNA)
where:
Base-Base interactions energy: -212.879
where: short stacking energy: -92.104
Base-Backbone interact. energy: -0.191
local terms energy: -98.463859
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -25.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -300.690424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.690424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.690424 (E_RNA)
where:
Base-Base interactions energy: -207.995
where: short stacking energy: -91.476
Base-Backbone interact. energy: -0.805
local terms energy: -91.889926
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -25.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -241.450924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.450924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.450924 (E_RNA)
where:
Base-Base interactions energy: -144.800
where: short stacking energy: -71.830
Base-Backbone interact. energy: -0.147
local terms energy: -96.503699
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -222.860682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.860682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.860682 (E_RNA)
where:
Base-Base interactions energy: -139.597
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.393
local terms energy: -82.871357
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -10.755
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: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -136.584546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.584546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.584546 (E_RNA)
where:
Base-Base interactions energy: -56.279
where: short stacking energy: -48.838
Base-Backbone interact. energy: 1.508
local terms energy: -81.813001
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -124.024340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.024340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.024340 (E_RNA)
where:
Base-Base interactions energy: -50.738
where: short stacking energy: -48.999
Base-Backbone interact. energy: -0.362
local terms energy: -72.924337
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -13.312
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: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -119.854248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.854248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.854248 (E_RNA)
where:
Base-Base interactions energy: -43.094
where: short stacking energy: -31.293
Base-Backbone interact. energy: -0.122
local terms energy: -76.638979
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -21.129
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -101.908539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.908539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.908539 (E_RNA)
where:
Base-Base interactions energy: -35.753
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.140
local terms energy: -66.015616
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -104.339884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.339884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.339884 (E_RNA)
where:
Base-Base interactions energy: -39.237
where: short stacking energy: -37.597
Base-Backbone interact. energy: -0.337
local terms energy: -64.766185
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -7.130
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: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -326.074429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.074429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.074429 (E_RNA)
where:
Base-Base interactions energy: -217.645
where: short stacking energy: -97.661
Base-Backbone interact. energy: -0.517
local terms energy: -107.912455
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -23.628
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -21.895
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: 283
Temperature: 0.950000
Total energy: -312.730326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.730326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.730326 (E_RNA)
where:
Base-Base interactions energy: -211.910
where: short stacking energy: -86.742
Base-Backbone interact. energy: -1.041
local terms energy: -99.778791
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -317.043023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.043023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.043023 (E_RNA)
where:
Base-Base interactions energy: -216.360
where: short stacking energy: -92.277
Base-Backbone interact. energy: -0.667
local terms energy: -100.016761
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -26.369
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: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -251.239966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.239966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.239966 (E_RNA)
where:
Base-Base interactions energy: -164.108
where: short stacking energy: -71.453
Base-Backbone interact. energy: -0.536
local terms energy: -86.596928
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -14.254
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: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -236.958434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.958434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.958434 (E_RNA)
where:
Base-Base interactions energy: -147.506
where: short stacking energy: -66.543
Base-Backbone interact. energy: -0.486
local terms energy: -88.965908
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -15.877
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: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -186.447417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.447417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.447417 (E_RNA)
where:
Base-Base interactions energy: -110.853
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.167
local terms energy: -75.427252
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -120.728338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.728338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.728338 (E_RNA)
where:
Base-Base interactions energy: -54.287
where: short stacking energy: -49.840
Base-Backbone interact. energy: -0.275
local terms energy: -66.166210
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -7.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -114.995056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.995056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.995056 (E_RNA)
where:
Base-Base interactions energy: -42.361
where: short stacking energy: -42.361
Base-Backbone interact. energy: -0.203
local terms energy: -72.431554
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -11.043
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: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -106.733850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.733850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.733850 (E_RNA)
where:
Base-Base interactions energy: -36.684
where: short stacking energy: -36.540
Base-Backbone interact. energy: -0.081
local terms energy: -69.968234
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -111.678254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.678254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.678254 (E_RNA)
where:
Base-Base interactions energy: -44.093
where: short stacking energy: -35.217
Base-Backbone interact. energy: -0.428
local terms energy: -67.157183
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -0.105
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: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -316.718883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.718883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.718883 (E_RNA)
where:
Base-Base interactions energy: -213.163
where: short stacking energy: -94.114
Base-Backbone interact. energy: -0.785
local terms energy: -102.770902
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -25.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -309.543894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.543894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.543894 (E_RNA)
where:
Base-Base interactions energy: -201.389
where: short stacking energy: -86.521
Base-Backbone interact. energy: -1.974
local terms energy: -106.181333
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -23.271
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: 284
Temperature: 1.000000
Total energy: -315.489820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.489820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.489820 (E_RNA)
where:
Base-Base interactions energy: -212.732
where: short stacking energy: -99.107
Base-Backbone interact. energy: -0.328
local terms energy: -102.429928
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -27.468
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: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -256.194290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.194290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.194290 (E_RNA)
where:
Base-Base interactions energy: -157.593
where: short stacking energy: -80.627
Base-Backbone interact. energy: -2.117
local terms energy: -96.483927
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -21.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -242.764590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.764590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.764590 (E_RNA)
where:
Base-Base interactions energy: -161.419
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.138
local terms energy: -81.207936
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -16.468
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: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -146.666514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.666514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.666514 (E_RNA)
where:
Base-Base interactions energy: -84.555
where: short stacking energy: -50.787
Base-Backbone interact. energy: -0.926
local terms energy: -61.184817
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -134.656263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.656263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.656263 (E_RNA)
where:
Base-Base interactions energy: -54.320
where: short stacking energy: -42.400
Base-Backbone interact. energy: -0.562
local terms energy: -79.774365
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -130.134588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.134588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.134588 (E_RNA)
where:
Base-Base interactions energy: -54.152
where: short stacking energy: -46.126
Base-Backbone interact. energy: -0.385
local terms energy: -75.597652
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -9.519
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: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -119.588325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.588325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.588325 (E_RNA)
where:
Base-Base interactions energy: -45.649
where: short stacking energy: -45.924
Base-Backbone interact. energy: -0.588
local terms energy: -73.351416
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -95.215600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.215600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.215600 (E_RNA)
where:
Base-Base interactions energy: -26.359
where: short stacking energy: -19.064
Base-Backbone interact. energy: -0.722
local terms energy: -68.133866
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: 1.006
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: 285
Temperature: 0.900000
Total energy: -309.964873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.964873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.964873 (E_RNA)
where:
Base-Base interactions energy: -202.991
where: short stacking energy: -94.081
Base-Backbone interact. energy: -0.162
local terms energy: -106.811911
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -25.314
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: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -318.107451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.107451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.107451 (E_RNA)
where:
Base-Base interactions energy: -214.163
where: short stacking energy: -94.069
Base-Backbone interact. energy: -0.182
local terms energy: -103.761964
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -26.065
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: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -298.508585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.508585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.508585 (E_RNA)
where:
Base-Base interactions energy: -187.058
where: short stacking energy: -87.765
Base-Backbone interact. energy: -1.135
local terms energy: -110.315795
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -22.385
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: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -253.041235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.041235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.041235 (E_RNA)
where:
Base-Base interactions energy: -160.408
where: short stacking energy: -77.021
Base-Backbone interact. energy: -0.600
local terms energy: -92.032915
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -20.424
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: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -244.283525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.283525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.283525 (E_RNA)
where:
Base-Base interactions energy: -147.885
where: short stacking energy: -75.720
Base-Backbone interact. energy: -1.090
local terms energy: -95.308153
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -22.723
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: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -124.687113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.687113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.687113 (E_RNA)
where:
Base-Base interactions energy: -51.260
where: short stacking energy: -49.696
Base-Backbone interact. energy: -0.447
local terms energy: -72.980028
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -127.257643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.257643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.257643 (E_RNA)
where:
Base-Base interactions energy: -49.007
where: short stacking energy: -44.179
Base-Backbone interact. energy: -0.363
local terms energy: -77.886713
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -106.671841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.671841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.671841 (E_RNA)
where:
Base-Base interactions energy: -44.520
where: short stacking energy: -36.539
Base-Backbone interact. energy: -0.182
local terms energy: -61.969211
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: 3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -119.001781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.001781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.001781 (E_RNA)
where:
Base-Base interactions energy: -55.067
where: short stacking energy: -38.176
Base-Backbone interact. energy: -2.069
local terms energy: -61.865272
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -107.467200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.467200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.467200 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.296
local terms energy: -72.010355
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -328.503746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.503746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.503746 (E_RNA)
where:
Base-Base interactions energy: -217.596
where: short stacking energy: -95.157
Base-Backbone interact. energy: -0.256
local terms energy: -110.651029
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -26.538
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: 286
Temperature: 0.950000
Total energy: -307.861499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.861499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.861499 (E_RNA)
where:
Base-Base interactions energy: -206.756
where: short stacking energy: -95.563
Base-Backbone interact. energy: -0.089
local terms energy: -101.016402
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -27.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -298.269544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.269544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.269544 (E_RNA)
where:
Base-Base interactions energy: -190.892
where: short stacking energy: -83.016
Base-Backbone interact. energy: -2.864
local terms energy: -104.513999
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -24.102
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: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -236.645802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.645802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.645802 (E_RNA)
where:
Base-Base interactions energy: -135.172
where: short stacking energy: -71.882
Base-Backbone interact. energy: -0.018
local terms energy: -101.455967
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -242.245502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.245502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.245502 (E_RNA)
where:
Base-Base interactions energy: -141.810
where: short stacking energy: -78.429
Base-Backbone interact. energy: -0.128
local terms energy: -100.307510
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -22.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -189.390991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.390991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.390991 (E_RNA)
where:
Base-Base interactions energy: -111.181
where: short stacking energy: -56.902
Base-Backbone interact. energy: -0.293
local terms energy: -77.917490
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -113.329105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.329105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.329105 (E_RNA)
where:
Base-Base interactions energy: -51.296
where: short stacking energy: -50.260
Base-Backbone interact. energy: 0.046
local terms energy: -62.079075
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -7.719
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: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -113.822879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.822879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.822879 (E_RNA)
where:
Base-Base interactions energy: -38.233
where: short stacking energy: -35.751
Base-Backbone interact. energy: -0.887
local terms energy: -74.702414
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -22.569
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -105.101654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.101654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.101654 (E_RNA)
where:
Base-Base interactions energy: -39.255
where: short stacking energy: -39.182
Base-Backbone interact. energy: -0.269
local terms energy: -65.577959
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -116.314065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.314065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.314065 (E_RNA)
where:
Base-Base interactions energy: -51.625
where: short stacking energy: -31.941
Base-Backbone interact. energy: -0.303
local terms energy: -64.386864
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -325.580449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.580449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.580449 (E_RNA)
where:
Base-Base interactions energy: -215.433
where: short stacking energy: -93.227
Base-Backbone interact. energy: -0.308
local terms energy: -109.839455
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -26.302
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: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -302.560217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.560217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.560217 (E_RNA)
where:
Base-Base interactions energy: -203.775
where: short stacking energy: -95.320
Base-Backbone interact. energy: -1.112
local terms energy: -97.673743
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -23.899
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: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -300.677814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.677814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.677814 (E_RNA)
where:
Base-Base interactions energy: -203.107
where: short stacking energy: -90.203
Base-Backbone interact. energy: -0.458
local terms energy: -97.113213
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -23.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -254.334143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.334143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.334143 (E_RNA)
where:
Base-Base interactions energy: -157.293
where: short stacking energy: -81.056
Base-Backbone interact. energy: 0.875
local terms energy: -97.915690
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -26.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -232.185266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.185266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.185266 (E_RNA)
where:
Base-Base interactions energy: -141.579
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.085
local terms energy: -90.521547
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -149.069552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.069552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.069552 (E_RNA)
where:
Base-Base interactions energy: -68.687
where: short stacking energy: -61.780
Base-Backbone interact. energy: -0.734
local terms energy: -79.648728
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: -9.685
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: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -138.264805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.264805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.264805 (E_RNA)
where:
Base-Base interactions energy: -66.555
where: short stacking energy: -62.568
Base-Backbone interact. energy: 3.042
local terms energy: -74.751301
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -13.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -114.774829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.774829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.774829 (E_RNA)
where:
Base-Base interactions energy: -51.307
where: short stacking energy: -38.903
Base-Backbone interact. energy: -1.405
local terms energy: -62.062480
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -0.382
tors. eta vs tors. theta energy: -6.434
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: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -102.265548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.265548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.265548 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.384
local terms energy: -62.790158
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -100.943267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.943267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.943267 (E_RNA)
where:
Base-Base interactions energy: -34.119
where: short stacking energy: -29.253
Base-Backbone interact. energy: -0.107
local terms energy: -66.717554
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -11.007
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: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -324.160952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.160952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.160952 (E_RNA)
where:
Base-Base interactions energy: -223.280
where: short stacking energy: -89.498
Base-Backbone interact. energy: -0.297
local terms energy: -100.583413
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -24.611
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: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -311.416039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.416039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.416039 (E_RNA)
where:
Base-Base interactions energy: -208.473
where: short stacking energy: -98.480
Base-Backbone interact. energy: -0.266
local terms energy: -102.677043
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -29.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -297.889368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.889368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.889368 (E_RNA)
where:
Base-Base interactions energy: -209.558
where: short stacking energy: -89.433
Base-Backbone interact. energy: -0.125
local terms energy: -88.207265
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -13.773
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: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -234.315772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.315772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.315772 (E_RNA)
where:
Base-Base interactions energy: -146.388
where: short stacking energy: -69.196
Base-Backbone interact. energy: -0.170
local terms energy: -87.758057
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -239.118525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.118525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.118525 (E_RNA)
where:
Base-Base interactions energy: -148.246
where: short stacking energy: -76.689
Base-Backbone interact. energy: -0.252
local terms energy: -90.620478
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -17.449
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: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -128.586506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.586506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.586506 (E_RNA)
where:
Base-Base interactions energy: -50.231
where: short stacking energy: -49.116
Base-Backbone interact. energy: -0.056
local terms energy: -78.299970
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -10.606
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: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -157.492390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.492390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.492390 (E_RNA)
where:
Base-Base interactions energy: -80.128
where: short stacking energy: -49.437
Base-Backbone interact. energy: 0.544
local terms energy: -77.909051
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -125.628661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.628661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.628661 (E_RNA)
where:
Base-Base interactions energy: -45.506
where: short stacking energy: -45.215
Base-Backbone interact. energy: 0.534
local terms energy: -80.656533
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -6.910
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: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -110.144526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.144526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.144526 (E_RNA)
where:
Base-Base interactions energy: -48.711
where: short stacking energy: -48.711
Base-Backbone interact. energy: -0.072
local terms energy: -61.361503
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -5.608
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: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -107.322672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.322672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.322672 (E_RNA)
where:
Base-Base interactions energy: -45.724
where: short stacking energy: -35.483
Base-Backbone interact. energy: 0.857
local terms energy: -62.456037
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -331.727263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.727263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.727263 (E_RNA)
where:
Base-Base interactions energy: -230.943
where: short stacking energy: -97.708
Base-Backbone interact. energy: -0.478
local terms energy: -100.306270
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -319.371904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.371904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.371904 (E_RNA)
where:
Base-Base interactions energy: -218.967
where: short stacking energy: -98.878
Base-Backbone interact. energy: 0.653
local terms energy: -101.057623
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -26.213
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: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -303.744043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.744043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.744043 (E_RNA)
where:
Base-Base interactions energy: -200.417
where: short stacking energy: -88.163
Base-Backbone interact. energy: -1.278
local terms energy: -102.048714
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -15.027
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: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -250.638183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.638183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.638183 (E_RNA)
where:
Base-Base interactions energy: -166.717
where: short stacking energy: -67.824
Base-Backbone interact. energy: 0.084
local terms energy: -84.004519
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -9.689
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: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -243.673517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.673517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.673517 (E_RNA)
where:
Base-Base interactions energy: -154.242
where: short stacking energy: -77.165
Base-Backbone interact. energy: -0.112
local terms energy: -89.319580
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -24.615
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -144.923011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.923011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.923011 (E_RNA)
where:
Base-Base interactions energy: -70.969
where: short stacking energy: -46.693
Base-Backbone interact. energy: -0.637
local terms energy: -73.316516
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -126.470399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.470399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.470399 (E_RNA)
where:
Base-Base interactions energy: -49.853
where: short stacking energy: -44.523
Base-Backbone interact. energy: -0.764
local terms energy: -75.853739
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -109.972882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.972882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.972882 (E_RNA)
where:
Base-Base interactions energy: -47.145
where: short stacking energy: -45.260
Base-Backbone interact. energy: -0.144
local terms energy: -62.684230
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -11.575
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: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -106.394978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.394978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.394978 (E_RNA)
where:
Base-Base interactions energy: -44.832
where: short stacking energy: -39.918
Base-Backbone interact. energy: -0.680
local terms energy: -60.882755
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -8.211
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -120.378744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.378744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.378744 (E_RNA)
where:
Base-Base interactions energy: -54.619
where: short stacking energy: -31.627
Base-Backbone interact. energy: 1.000
local terms energy: -66.759747
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -323.248235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.248235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.248235 (E_RNA)
where:
Base-Base interactions energy: -215.549
where: short stacking energy: -99.787
Base-Backbone interact. energy: -0.252
local terms energy: -107.447630
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -25.428
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -25.014
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: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -309.305243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.305243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.305243 (E_RNA)
where:
Base-Base interactions energy: -207.368
where: short stacking energy: -100.784
Base-Backbone interact. energy: -0.017
local terms energy: -101.920107
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -296.775220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.775220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.775220 (E_RNA)
where:
Base-Base interactions energy: -199.346
where: short stacking energy: -89.989
Base-Backbone interact. energy: -1.447
local terms energy: -95.982482
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -23.190
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: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -272.949370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.949370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.949370 (E_RNA)
where:
Base-Base interactions energy: -180.126
where: short stacking energy: -85.971
Base-Backbone interact. energy: -0.509
local terms energy: -92.314321
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -220.539395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.539395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.539395 (E_RNA)
where:
Base-Base interactions energy: -130.483
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.607
local terms energy: -89.449404
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -17.615
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: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -129.987560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.987560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.987560 (E_RNA)
where:
Base-Base interactions energy: -65.453
where: short stacking energy: -45.048
Base-Backbone interact. energy: -0.896
local terms energy: -63.638451
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -127.089848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.089848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.089848 (E_RNA)
where:
Base-Base interactions energy: -52.650
where: short stacking energy: -49.233
Base-Backbone interact. energy: -0.253
local terms energy: -74.186920
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -119.495543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.495543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.495543 (E_RNA)
where:
Base-Base interactions energy: -58.810
where: short stacking energy: -49.458
Base-Backbone interact. energy: -0.181
local terms energy: -60.503860
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -9.018
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -2.589
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: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -111.394886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.394886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.394886 (E_RNA)
where:
Base-Base interactions energy: -45.828
where: short stacking energy: -40.392
Base-Backbone interact. energy: 1.214
local terms energy: -66.780859
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -96.947033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.947033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.947033 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.393
local terms energy: -54.109712
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: 0.925
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: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -324.126723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.126723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.126723 (E_RNA)
where:
Base-Base interactions energy: -207.983
where: short stacking energy: -99.195
Base-Backbone interact. energy: -0.814
local terms energy: -115.329085
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -31.643
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: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -303.598126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.598126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.598126 (E_RNA)
where:
Base-Base interactions energy: -205.530
where: short stacking energy: -91.706
Base-Backbone interact. energy: -0.382
local terms energy: -97.685740
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -293.667945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.667945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.667945 (E_RNA)
where:
Base-Base interactions energy: -193.262
where: short stacking energy: -89.423
Base-Backbone interact. energy: -1.316
local terms energy: -99.089868
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -279.852880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.852880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.852880 (E_RNA)
where:
Base-Base interactions energy: -185.942
where: short stacking energy: -87.929
Base-Backbone interact. energy: -1.053
local terms energy: -92.858349
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -218.951676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.951676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.951676 (E_RNA)
where:
Base-Base interactions energy: -130.752
where: short stacking energy: -68.596
Base-Backbone interact. energy: -0.045
local terms energy: -88.154741
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -15.291
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: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -126.481025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.481025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.481025 (E_RNA)
where:
Base-Base interactions energy: -56.265
where: short stacking energy: -40.668
Base-Backbone interact. energy: -0.003
local terms energy: -70.213134
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -116.891828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.891828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.891828 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -42.256
Base-Backbone interact. energy: -0.227
local terms energy: -73.833532
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -5.393
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: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -114.771455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.771455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.771455 (E_RNA)
where:
Base-Base interactions energy: -55.360
where: short stacking energy: -19.702
Base-Backbone interact. energy: -0.693
local terms energy: -58.718781
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -105.347835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.347835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.347835 (E_RNA)
where:
Base-Base interactions energy: -38.365
where: short stacking energy: -38.365
Base-Backbone interact. energy: -0.445
local terms energy: -66.538413
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -105.022927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.022927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.022927 (E_RNA)
where:
Base-Base interactions energy: -52.787
where: short stacking energy: -33.051
Base-Backbone interact. energy: 0.851
local terms energy: -53.087108
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: 2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -333.838063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.838063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.838063 (E_RNA)
where:
Base-Base interactions energy: -224.256
where: short stacking energy: -96.322
Base-Backbone interact. energy: -0.185
local terms energy: -109.397387
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -29.820
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: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -297.466894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.466894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.466894 (E_RNA)
where:
Base-Base interactions energy: -196.283
where: short stacking energy: -89.721
Base-Backbone interact. energy: -0.710
local terms energy: -100.474356
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -300.000722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.000722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.000722 (E_RNA)
where:
Base-Base interactions energy: -200.345
where: short stacking energy: -86.120
Base-Backbone interact. energy: -0.866
local terms energy: -98.789467
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -25.197
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -302.201631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.201631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.201631 (E_RNA)
where:
Base-Base interactions energy: -202.794
where: short stacking energy: -87.913
Base-Backbone interact. energy: -2.638
local terms energy: -96.769746
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -205.611034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.611034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.611034 (E_RNA)
where:
Base-Base interactions energy: -111.958
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.060
local terms energy: -93.592539
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -18.032
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: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -122.878334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.878334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.878334 (E_RNA)
where:
Base-Base interactions energy: -47.590
where: short stacking energy: -37.727
Base-Backbone interact. energy: -0.242
local terms energy: -75.046893
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -4.702
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: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -126.514690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.514690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.514690 (E_RNA)
where:
Base-Base interactions energy: -52.802
where: short stacking energy: -49.285
Base-Backbone interact. energy: -0.159
local terms energy: -73.553397
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -3.079
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: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -124.713404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.713404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.713404 (E_RNA)
where:
Base-Base interactions energy: -50.440
where: short stacking energy: -50.440
Base-Backbone interact. energy: -0.041
local terms energy: -74.231992
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -116.867875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.867875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.867875 (E_RNA)
where:
Base-Base interactions energy: -53.748
where: short stacking energy: -36.285
Base-Backbone interact. energy: -1.404
local terms energy: -61.716474
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -131.759539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.759539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.759539 (E_RNA)
where:
Base-Base interactions energy: -80.671
where: short stacking energy: -50.423
Base-Backbone interact. energy: -0.171
local terms energy: -50.917513
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -329.342752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.342752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.342752 (E_RNA)
where:
Base-Base interactions energy: -224.885
where: short stacking energy: -98.962
Base-Backbone interact. energy: -0.571
local terms energy: -103.886831
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -28.697
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: 293
Temperature: 0.950000
Total energy: -293.689884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.689884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.689884 (E_RNA)
where:
Base-Base interactions energy: -202.562
where: short stacking energy: -88.795
Base-Backbone interact. energy: 0.561
local terms energy: -91.689067
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -19.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -292.679187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.679187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.679187 (E_RNA)
where:
Base-Base interactions energy: -193.338
where: short stacking energy: -90.328
Base-Backbone interact. energy: -0.651
local terms energy: -98.690420
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -287.513471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.513471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.513471 (E_RNA)
where:
Base-Base interactions energy: -200.053
where: short stacking energy: -79.307
Base-Backbone interact. energy: -1.467
local terms energy: -85.993394
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -22.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -199.954152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.954152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.954152 (E_RNA)
where:
Base-Base interactions energy: -110.323
where: short stacking energy: -63.849
Base-Backbone interact. energy: -0.139
local terms energy: -89.492267
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -150.632020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.632020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.632020 (E_RNA)
where:
Base-Base interactions energy: -68.324
where: short stacking energy: -39.093
Base-Backbone interact. energy: -0.526
local terms energy: -81.782797
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -9.880
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: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -143.742369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.742369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.742369 (E_RNA)
where:
Base-Base interactions energy: -78.374
where: short stacking energy: -52.923
Base-Backbone interact. energy: 1.176
local terms energy: -66.544659
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -2.298
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: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -170.982937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.982937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.982937 (E_RNA)
where:
Base-Base interactions energy: -95.808
where: short stacking energy: -55.358
Base-Backbone interact. energy: -0.536
local terms energy: -74.638325
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -5.981
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: 293
Temperature: 1.300000
Total energy: -126.007863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.007863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.007863 (E_RNA)
where:
Base-Base interactions energy: -50.738
where: short stacking energy: -47.304
Base-Backbone interact. energy: -0.084
local terms energy: -75.185254
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -108.476001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.476001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.476001 (E_RNA)
where:
Base-Base interactions energy: -41.784
where: short stacking energy: -41.784
Base-Backbone interact. energy: -0.647
local terms energy: -66.045661
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -326.384875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.384875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.384875 (E_RNA)
where:
Base-Base interactions energy: -218.035
where: short stacking energy: -98.427
Base-Backbone interact. energy: 0.280
local terms energy: -108.629482
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -28.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -313.031791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.031791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.031791 (E_RNA)
where:
Base-Base interactions energy: -214.866
where: short stacking energy: -93.224
Base-Backbone interact. energy: -0.146
local terms energy: -98.019086
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -17.864
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: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -310.707979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.707979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.707979 (E_RNA)
where:
Base-Base interactions energy: -202.151
where: short stacking energy: -89.217
Base-Backbone interact. energy: -0.628
local terms energy: -107.929134
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -25.037
flat angles P-C4'-P energy: -16.518
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: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -287.044229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.044229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.044229 (E_RNA)
where:
Base-Base interactions energy: -189.552
where: short stacking energy: -86.893
Base-Backbone interact. energy: -0.374
local terms energy: -97.118585
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -200.443519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.443519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.443519 (E_RNA)
where:
Base-Base interactions energy: -117.117
where: short stacking energy: -48.908
Base-Backbone interact. energy: -0.193
local terms energy: -83.133161
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -205.686418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.686418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.686418 (E_RNA)
where:
Base-Base interactions energy: -122.792
where: short stacking energy: -54.793
Base-Backbone interact. energy: -0.720
local terms energy: -82.174380
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -204.424508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.424508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.424508 (E_RNA)
where:
Base-Base interactions energy: -113.387
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.159
local terms energy: -90.878461
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -20.326
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: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -134.316273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.316273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.316273 (E_RNA)
where:
Base-Base interactions energy: -67.144
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.056
local terms energy: -67.116769
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -9.750
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: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -119.061651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.061651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.061651 (E_RNA)
where:
Base-Base interactions energy: -56.072
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.904
local terms energy: -62.085183
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: 0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -117.782592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.782592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.782592 (E_RNA)
where:
Base-Base interactions energy: -62.314
where: short stacking energy: -35.984
Base-Backbone interact. energy: -0.225
local terms energy: -55.242672
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -3.018
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: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -336.604878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.604878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.604878 (E_RNA)
where:
Base-Base interactions energy: -228.402
where: short stacking energy: -98.557
Base-Backbone interact. energy: -0.173
local terms energy: -108.029818
where:
bonds (distance) C4'-P energy: -20.531
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -26.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -310.829312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.829312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.829312 (E_RNA)
where:
Base-Base interactions energy: -217.857
where: short stacking energy: -90.150
Base-Backbone interact. energy: -0.204
local terms energy: -92.768171
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -24.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -294.361627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.361627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.361627 (E_RNA)
where:
Base-Base interactions energy: -196.267
where: short stacking energy: -88.978
Base-Backbone interact. energy: -2.016
local terms energy: -96.078803
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -25.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -287.771658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.771658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.771658 (E_RNA)
where:
Base-Base interactions energy: -199.158
where: short stacking energy: -91.287
Base-Backbone interact. energy: -0.131
local terms energy: -88.482910
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -216.593065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.593065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.593065 (E_RNA)
where:
Base-Base interactions energy: -132.289
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.207
local terms energy: -84.097222
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -12.157
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: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -190.968688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.968688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.968688 (E_RNA)
where:
Base-Base interactions energy: -117.613
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.480
local terms energy: -72.875739
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -6.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -194.014970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.014970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.014970 (E_RNA)
where:
Base-Base interactions energy: -109.344
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.369
local terms energy: -84.301638
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -9.387
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: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -112.279092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.279092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.279092 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -38.623
Base-Backbone interact. energy: -0.121
local terms energy: -69.130519
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -110.181502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.181502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.181502 (E_RNA)
where:
Base-Base interactions energy: -41.142
where: short stacking energy: -34.960
Base-Backbone interact. energy: -0.141
local terms energy: -68.898533
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -100.114370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.114370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.114370 (E_RNA)
where:
Base-Base interactions energy: -30.789
where: short stacking energy: -21.702
Base-Backbone interact. energy: 1.646
local terms energy: -70.971763
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -9.897
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: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -332.838496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.838496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.838496 (E_RNA)
where:
Base-Base interactions energy: -218.372
where: short stacking energy: -99.082
Base-Backbone interact. energy: -0.797
local terms energy: -113.669450
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -28.226
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: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -307.366336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.366336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.366336 (E_RNA)
where:
Base-Base interactions energy: -202.436
where: short stacking energy: -79.811
Base-Backbone interact. energy: -0.785
local terms energy: -104.145097
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -306.938610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.938610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.938610 (E_RNA)
where:
Base-Base interactions energy: -212.460
where: short stacking energy: -94.152
Base-Backbone interact. energy: 0.205
local terms energy: -94.683549
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -25.569
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: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -285.792805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.792805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.792805 (E_RNA)
where:
Base-Base interactions energy: -185.495
where: short stacking energy: -86.112
Base-Backbone interact. energy: -0.467
local terms energy: -99.830859
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -22.641
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -24.396
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: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -211.690023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.690023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.690023 (E_RNA)
where:
Base-Base interactions energy: -127.975
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.377
local terms energy: -83.337686
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -10.145
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: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -196.600078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.600078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.600078 (E_RNA)
where:
Base-Base interactions energy: -106.702
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.246
local terms energy: -89.651898
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -119.816220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.816220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.816220 (E_RNA)
where:
Base-Base interactions energy: -57.419
where: short stacking energy: -33.310
Base-Backbone interact. energy: -0.713
local terms energy: -61.683915
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -9.380
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: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -136.401178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.401178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.401178 (E_RNA)
where:
Base-Base interactions energy: -61.518
where: short stacking energy: -36.988
Base-Backbone interact. energy: -1.283
local terms energy: -73.600509
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -121.382803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.382803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.382803 (E_RNA)
where:
Base-Base interactions energy: -44.592
where: short stacking energy: -44.275
Base-Backbone interact. energy: -1.358
local terms energy: -75.433084
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -103.741469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.741469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.741469 (E_RNA)
where:
Base-Base interactions energy: -36.181
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.004
local terms energy: -67.556453
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -330.122195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.122195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.122195 (E_RNA)
where:
Base-Base interactions energy: -221.653
where: short stacking energy: -92.705
Base-Backbone interact. energy: -0.665
local terms energy: -107.804088
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -28.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -301.401529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.401529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.401529 (E_RNA)
where:
Base-Base interactions energy: -207.260
where: short stacking energy: -82.002
Base-Backbone interact. energy: -0.374
local terms energy: -93.768289
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -298.058785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.058785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.058785 (E_RNA)
where:
Base-Base interactions energy: -193.859
where: short stacking energy: -87.985
Base-Backbone interact. energy: -1.538
local terms energy: -102.661799
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -26.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -296.473604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.473604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.473604 (E_RNA)
where:
Base-Base interactions energy: -203.564
where: short stacking energy: -98.708
Base-Backbone interact. energy: -0.276
local terms energy: -92.633471
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -23.891
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: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -213.295648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.295648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.295648 (E_RNA)
where:
Base-Base interactions energy: -120.796
where: short stacking energy: -55.276
Base-Backbone interact. energy: -0.171
local terms energy: -92.329287
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -190.078240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.078240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.078240 (E_RNA)
where:
Base-Base interactions energy: -106.040
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.265
local terms energy: -83.773409
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -16.476
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: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -120.838689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.838689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.838689 (E_RNA)
where:
Base-Base interactions energy: -48.759
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.254
local terms energy: -71.825596
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -6.561
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: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -115.980891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.980891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.980891 (E_RNA)
where:
Base-Base interactions energy: -54.218
where: short stacking energy: -34.972
Base-Backbone interact. energy: -0.589
local terms energy: -61.173666
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -112.148364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.148364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.148364 (E_RNA)
where:
Base-Base interactions energy: -60.947
where: short stacking energy: -26.047
Base-Backbone interact. energy: -1.023
local terms energy: -50.178184
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: 4.353
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: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -103.040361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.040361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.040361 (E_RNA)
where:
Base-Base interactions energy: -41.497
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.349
local terms energy: -61.193871
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -331.292270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.292270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.292270 (E_RNA)
where:
Base-Base interactions energy: -220.528
where: short stacking energy: -95.153
Base-Backbone interact. energy: -0.837
local terms energy: -109.926682
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -28.319
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: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -318.003705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.003705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.003705 (E_RNA)
where:
Base-Base interactions energy: -216.770
where: short stacking energy: -82.092
Base-Backbone interact. energy: 0.295
local terms energy: -101.528839
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -307.540251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.540251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.540251 (E_RNA)
where:
Base-Base interactions energy: -208.525
where: short stacking energy: -88.491
Base-Backbone interact. energy: 0.416
local terms energy: -99.432088
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -287.531132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.531132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.531132 (E_RNA)
where:
Base-Base interactions energy: -195.632
where: short stacking energy: -89.016
Base-Backbone interact. energy: -0.154
local terms energy: -91.744707
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -13.249
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: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -233.774360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.774360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.774360 (E_RNA)
where:
Base-Base interactions energy: -142.524
where: short stacking energy: -74.250
Base-Backbone interact. energy: -0.081
local terms energy: -91.169788
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -10.564
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: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -193.377979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.377979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.377979 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -55.487
Base-Backbone interact. energy: -0.359
local terms energy: -75.618651
where:
bonds (distance) C4'-P energy: -6.983
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -125.918292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.918292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.918292 (E_RNA)
where:
Base-Base interactions energy: -53.323
where: short stacking energy: -34.722
Base-Backbone interact. energy: -0.028
local terms energy: -72.567363
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -6.772
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: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -127.063098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.063098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.063098 (E_RNA)
where:
Base-Base interactions energy: -55.416
where: short stacking energy: -43.493
Base-Backbone interact. energy: -0.146
local terms energy: -71.500687
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -112.098044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.098044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.098044 (E_RNA)
where:
Base-Base interactions energy: -45.412
where: short stacking energy: -36.849
Base-Backbone interact. energy: -1.120
local terms energy: -65.565224
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -108.744205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.744205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.744205 (E_RNA)
where:
Base-Base interactions energy: -35.821
where: short stacking energy: -32.809
Base-Backbone interact. energy: -0.071
local terms energy: -72.852069
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -330.524798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.524798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.524798 (E_RNA)
where:
Base-Base interactions energy: -222.462
where: short stacking energy: -96.488
Base-Backbone interact. energy: 1.375
local terms energy: -109.437978
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -319.399304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.399304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.399304 (E_RNA)
where:
Base-Base interactions energy: -217.872
where: short stacking energy: -91.471
Base-Backbone interact. energy: -0.244
local terms energy: -101.283151
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -296.940378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.940378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.940378 (E_RNA)
where:
Base-Base interactions energy: -191.544
where: short stacking energy: -85.199
Base-Backbone interact. energy: -0.968
local terms energy: -104.429300
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -300.957519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.957519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.957519 (E_RNA)
where:
Base-Base interactions energy: -196.508
where: short stacking energy: -98.627
Base-Backbone interact. energy: -0.127
local terms energy: -104.322484
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -28.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -223.884612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.884612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.884612 (E_RNA)
where:
Base-Base interactions energy: -139.202
where: short stacking energy: -76.926
Base-Backbone interact. energy: -0.079
local terms energy: -84.603040
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -16.217
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: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -197.926210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.926210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.926210 (E_RNA)
where:
Base-Base interactions energy: -112.406
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.734
local terms energy: -84.786313
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -132.794912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.794912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.794912 (E_RNA)
where:
Base-Base interactions energy: -55.537
where: short stacking energy: -41.470
Base-Backbone interact. energy: -0.153
local terms energy: -77.104900
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -136.760650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.760650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.760650 (E_RNA)
where:
Base-Base interactions energy: -69.300
where: short stacking energy: -41.144
Base-Backbone interact. energy: 0.142
local terms energy: -67.602714
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -7.333
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: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -109.323202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.323202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.323202 (E_RNA)
where:
Base-Base interactions energy: -47.464
where: short stacking energy: -34.848
Base-Backbone interact. energy: 0.817
local terms energy: -62.676177
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -108.533923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.533923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.533923 (E_RNA)
where:
Base-Base interactions energy: -47.295
where: short stacking energy: -28.464
Base-Backbone interact. energy: -0.185
local terms energy: -61.054300
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: 0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -316.700717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.700717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.700717 (E_RNA)
where:
Base-Base interactions energy: -213.452
where: short stacking energy: -97.814
Base-Backbone interact. energy: -1.003
local terms energy: -102.245167
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -27.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -329.400078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.400078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.400078 (E_RNA)
where:
Base-Base interactions energy: -218.738
where: short stacking energy: -95.491
Base-Backbone interact. energy: -0.197
local terms energy: -110.464345
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -28.221
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: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -304.685805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.685805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.685805 (E_RNA)
where:
Base-Base interactions energy: -206.586
where: short stacking energy: -103.191
Base-Backbone interact. energy: -0.861
local terms energy: -97.239200
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -289.206345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.206345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.206345 (E_RNA)
where:
Base-Base interactions energy: -194.664
where: short stacking energy: -86.901
Base-Backbone interact. energy: 0.424
local terms energy: -94.966486
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -12.888
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: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -228.812653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.812653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.812653 (E_RNA)
where:
Base-Base interactions energy: -129.242
where: short stacking energy: -72.299
Base-Backbone interact. energy: -0.047
local terms energy: -99.523887
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -21.680
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: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -201.767716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.767716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.767716 (E_RNA)
where:
Base-Base interactions energy: -120.502
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.977
local terms energy: -80.288800
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -18.073
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: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -142.627506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.627506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.627506 (E_RNA)
where:
Base-Base interactions energy: -82.458
where: short stacking energy: -45.319
Base-Backbone interact. energy: -0.150
local terms energy: -60.019180
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -8.096
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: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -117.758600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.758600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.758600 (E_RNA)
where:
Base-Base interactions energy: -40.030
where: short stacking energy: -29.783
Base-Backbone interact. energy: -0.474
local terms energy: -77.255178
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -135.320310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.320310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.320310 (E_RNA)
where:
Base-Base interactions energy: -69.544
where: short stacking energy: -43.050
Base-Backbone interact. energy: -0.718
local terms energy: -65.057954
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -3.665
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: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -107.599788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.599788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.599788 (E_RNA)
where:
Base-Base interactions energy: -37.652
where: short stacking energy: -37.985
Base-Backbone interact. energy: -0.087
local terms energy: -69.861546
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -325.977343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.977343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.977343 (E_RNA)
where:
Base-Base interactions energy: -220.055
where: short stacking energy: -96.846
Base-Backbone interact. energy: -0.158
local terms energy: -105.763760
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -16.640
tors. eta vs tors. theta energy: -25.849
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: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -316.688633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.688633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.688633 (E_RNA)
where:
Base-Base interactions energy: -215.290
where: short stacking energy: -102.579
Base-Backbone interact. energy: -0.069
local terms energy: -101.329944
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -288.838524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.838524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.838524 (E_RNA)
where:
Base-Base interactions energy: -185.051
where: short stacking energy: -89.410
Base-Backbone interact. energy: -0.867
local terms energy: -102.920177
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -296.131468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.131468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.131468 (E_RNA)
where:
Base-Base interactions energy: -200.512
where: short stacking energy: -77.848
Base-Backbone interact. energy: -2.001
local terms energy: -93.618014
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -11.308
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: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -249.506015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.506015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.506015 (E_RNA)
where:
Base-Base interactions energy: -155.521
where: short stacking energy: -94.135
Base-Backbone interact. energy: -0.016
local terms energy: -93.969665
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -183.666513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.666513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.666513 (E_RNA)
where:
Base-Base interactions energy: -106.501
where: short stacking energy: -50.341
Base-Backbone interact. energy: -1.154
local terms energy: -76.011560
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -10.356
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: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -174.548247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.548247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.548247 (E_RNA)
where:
Base-Base interactions energy: -98.018
where: short stacking energy: -56.837
Base-Backbone interact. energy: 1.747
local terms energy: -78.276602
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -146.736053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.736053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.736053 (E_RNA)
where:
Base-Base interactions energy: -83.853
where: short stacking energy: -48.032
Base-Backbone interact. energy: -0.765
local terms energy: -62.118296
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -3.551
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: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -109.906556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.906556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.906556 (E_RNA)
where:
Base-Base interactions energy: -45.709
where: short stacking energy: -35.632
Base-Backbone interact. energy: -0.532
local terms energy: -63.665544
where:
bonds (distance) C4'-P energy: -23.613
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: 0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -100.607466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.607466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.607466 (E_RNA)
where:
Base-Base interactions energy: -48.615
where: short stacking energy: -18.764
Base-Backbone interact. energy: -0.297
local terms energy: -51.695211
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -8.667
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: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -321.378134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.378134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.378134 (E_RNA)
where:
Base-Base interactions energy: -215.202
where: short stacking energy: -100.328
Base-Backbone interact. energy: -0.247
local terms energy: -105.928292
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -26.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -327.973237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.973237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.973237 (E_RNA)
where:
Base-Base interactions energy: -227.046
where: short stacking energy: -103.224
Base-Backbone interact. energy: -0.202
local terms energy: -100.725309
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -303.056647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.056647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.056647 (E_RNA)
where:
Base-Base interactions energy: -199.699
where: short stacking energy: -88.751
Base-Backbone interact. energy: -1.018
local terms energy: -102.340261
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -22.418
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: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -296.268069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.268069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.268069 (E_RNA)
where:
Base-Base interactions energy: -201.524
where: short stacking energy: -95.535
Base-Backbone interact. energy: -0.333
local terms energy: -94.411557
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -230.877443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.877443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.877443 (E_RNA)
where:
Base-Base interactions energy: -155.809
where: short stacking energy: -65.584
Base-Backbone interact. energy: 0.071
local terms energy: -75.139945
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -179.394867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.394867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.394867 (E_RNA)
where:
Base-Base interactions energy: -104.058
where: short stacking energy: -42.603
Base-Backbone interact. energy: -0.297
local terms energy: -75.040177
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -200.158166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.158166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.158166 (E_RNA)
where:
Base-Base interactions energy: -118.869
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.760
local terms energy: -80.528885
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -11.588
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: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -126.064559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.064559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.064559 (E_RNA)
where:
Base-Base interactions energy: -77.135
where: short stacking energy: -31.477
Base-Backbone interact. energy: -0.504
local terms energy: -48.425471
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -6.619
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: 5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -110.856130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.856130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.856130 (E_RNA)
where:
Base-Base interactions energy: -47.564
where: short stacking energy: -47.564
Base-Backbone interact. energy: -0.354
local terms energy: -62.938324
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -104.352854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.352854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.352854 (E_RNA)
where:
Base-Base interactions energy: -52.080
where: short stacking energy: -18.408
Base-Backbone interact. energy: -0.595
local terms energy: -51.678404
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: 1.859
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: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -316.069672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.069672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.069672 (E_RNA)
where:
Base-Base interactions energy: -204.545
where: short stacking energy: -96.164
Base-Backbone interact. energy: -1.247
local terms energy: -110.277831
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -25.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -324.635233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.635233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.635233 (E_RNA)
where:
Base-Base interactions energy: -222.014
where: short stacking energy: -87.515
Base-Backbone interact. energy: -0.798
local terms energy: -101.823013
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -23.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -304.656432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.656432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.656432 (E_RNA)
where:
Base-Base interactions energy: -200.353
where: short stacking energy: -86.858
Base-Backbone interact. energy: -1.625
local terms energy: -102.678577
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -24.805
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -24.897
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: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -296.037903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.037903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.037903 (E_RNA)
where:
Base-Base interactions energy: -197.016
where: short stacking energy: -86.643
Base-Backbone interact. energy: -0.475
local terms energy: -98.547168
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -241.897158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.897158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.897158 (E_RNA)
where:
Base-Base interactions energy: -150.202
where: short stacking energy: -81.283
Base-Backbone interact. energy: -0.098
local terms energy: -91.597723
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -18.752
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: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -200.521329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.521329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.521329 (E_RNA)
where:
Base-Base interactions energy: -101.048
where: short stacking energy: -56.169
Base-Backbone interact. energy: -1.471
local terms energy: -98.001752
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -172.474078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.474078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.474078 (E_RNA)
where:
Base-Base interactions energy: -96.815
where: short stacking energy: -43.909
Base-Backbone interact. energy: -1.098
local terms energy: -74.561800
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -122.144709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.144709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.144709 (E_RNA)
where:
Base-Base interactions energy: -48.903
where: short stacking energy: -38.307
Base-Backbone interact. energy: -0.200
local terms energy: -73.041830
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -124.524796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.524796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.524796 (E_RNA)
where:
Base-Base interactions energy: -66.419
where: short stacking energy: -48.259
Base-Backbone interact. energy: -0.238
local terms energy: -57.868382
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -106.564557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.564557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.564557 (E_RNA)
where:
Base-Base interactions energy: -36.513
where: short stacking energy: -35.098
Base-Backbone interact. energy: -1.068
local terms energy: -68.983756
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -322.718661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.718661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.718661 (E_RNA)
where:
Base-Base interactions energy: -211.056
where: short stacking energy: -98.903
Base-Backbone interact. energy: -0.193
local terms energy: -111.469587
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -311.569853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.569853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.569853 (E_RNA)
where:
Base-Base interactions energy: -202.849
where: short stacking energy: -98.258
Base-Backbone interact. energy: -0.076
local terms energy: -108.644544
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -27.500
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: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -296.281085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.281085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.281085 (E_RNA)
where:
Base-Base interactions energy: -202.031
where: short stacking energy: -88.150
Base-Backbone interact. energy: -0.623
local terms energy: -93.627128
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -22.087
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: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -279.257344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.257344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.257344 (E_RNA)
where:
Base-Base interactions energy: -198.627
where: short stacking energy: -80.564
Base-Backbone interact. energy: 0.451
local terms energy: -81.080771
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -19.788
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: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -225.784861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.784861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.784861 (E_RNA)
where:
Base-Base interactions energy: -137.285
where: short stacking energy: -76.188
Base-Backbone interact. energy: 2.210
local terms energy: -90.709293
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -197.680741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.680741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.680741 (E_RNA)
where:
Base-Base interactions energy: -120.148
where: short stacking energy: -69.571
Base-Backbone interact. energy: -0.059
local terms energy: -77.473678
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -16.213
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: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -174.580414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.580414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.580414 (E_RNA)
where:
Base-Base interactions energy: -98.487
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.113
local terms energy: -75.979547
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -7.076
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: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -109.161165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.161165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.161165 (E_RNA)
where:
Base-Base interactions energy: -48.215
where: short stacking energy: -40.468
Base-Backbone interact. energy: 0.115
local terms energy: -61.061278
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -137.137549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.137549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.137549 (E_RNA)
where:
Base-Base interactions energy: -69.359
where: short stacking energy: -31.830
Base-Backbone interact. energy: -0.307
local terms energy: -67.471721
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -3.550
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: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -112.501759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.501759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.501759 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -38.315
Base-Backbone interact. energy: -0.215
local terms energy: -73.971475
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -329.866478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.866478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.866478 (E_RNA)
where:
Base-Base interactions energy: -223.927
where: short stacking energy: -97.288
Base-Backbone interact. energy: -0.416
local terms energy: -105.524020
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -28.142
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: 305
Temperature: 0.950000
Total energy: -314.273423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.273423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.273423 (E_RNA)
where:
Base-Base interactions energy: -203.367
where: short stacking energy: -96.892
Base-Backbone interact. energy: -0.682
local terms energy: -110.224976
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -27.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -304.354522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.354522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.354522 (E_RNA)
where:
Base-Base interactions energy: -205.265
where: short stacking energy: -88.931
Base-Backbone interact. energy: -0.393
local terms energy: -98.696753
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -281.434968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.434968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.434968 (E_RNA)
where:
Base-Base interactions energy: -194.247
where: short stacking energy: -78.063
Base-Backbone interact. energy: -0.146
local terms energy: -87.042219
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -14.560
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: 5, replica: 7
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -223.787345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.787345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.787345 (E_RNA)
where:
Base-Base interactions energy: -135.588
where: short stacking energy: -76.346
Base-Backbone interact. energy: -0.344
local terms energy: -87.855696
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -185.519598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519598 (E_RNA)
where:
Base-Base interactions energy: -98.799
where: short stacking energy: -52.529
Base-Backbone interact. energy: -0.070
local terms energy: -86.650826
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -10.983
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: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -214.191073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.191073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.191073 (E_RNA)
where:
Base-Base interactions energy: -124.748
where: short stacking energy: -67.490
Base-Backbone interact. energy: -0.025
local terms energy: -89.418304
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -115.886726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886726 (E_RNA)
where:
Base-Base interactions energy: -50.182
where: short stacking energy: -43.317
Base-Backbone interact. energy: -0.455
local terms energy: -65.249509
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -129.817463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.817463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.817463 (E_RNA)
where:
Base-Base interactions energy: -56.705
where: short stacking energy: -42.185
Base-Backbone interact. energy: -0.850
local terms energy: -72.262479
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -127.328450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.328450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.328450 (E_RNA)
where:
Base-Base interactions energy: -51.473
where: short stacking energy: -51.053
Base-Backbone interact. energy: -0.072
local terms energy: -75.782899
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -330.216842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.216842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.216842 (E_RNA)
where:
Base-Base interactions energy: -222.514
where: short stacking energy: -93.481
Base-Backbone interact. energy: -0.207
local terms energy: -107.496061
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -28.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -297.847653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.847653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.847653 (E_RNA)
where:
Base-Base interactions energy: -193.419
where: short stacking energy: -85.040
Base-Backbone interact. energy: -2.004
local terms energy: -102.424961
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -26.643
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: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -306.463962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.463962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.463962 (E_RNA)
where:
Base-Base interactions energy: -202.810
where: short stacking energy: -93.629
Base-Backbone interact. energy: -0.222
local terms energy: -103.431718
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -304.095190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.095190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.095190 (E_RNA)
where:
Base-Base interactions energy: -195.232
where: short stacking energy: -87.363
Base-Backbone interact. energy: -0.284
local terms energy: -108.579038
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -29.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -244.137635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.137635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.137635 (E_RNA)
where:
Base-Base interactions energy: -144.065
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.088
local terms energy: -99.985294
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -23.211
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: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -171.889795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.889795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.889795 (E_RNA)
where:
Base-Base interactions energy: -85.015
where: short stacking energy: -50.266
Base-Backbone interact. energy: 0.015
local terms energy: -86.889412
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -24.665
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -8.284
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: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -229.835498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.835498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.835498 (E_RNA)
where:
Base-Base interactions energy: -138.225
where: short stacking energy: -58.864
Base-Backbone interact. energy: -0.839
local terms energy: -90.772082
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -10.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -110.808601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.808601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.808601 (E_RNA)
where:
Base-Base interactions energy: -39.932
where: short stacking energy: -34.251
Base-Backbone interact. energy: -0.295
local terms energy: -70.581588
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: 0.600
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: 306
Temperature: 1.300000
Total energy: -107.607242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.607242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.607242 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -32.118
Base-Backbone interact. energy: -0.413
local terms energy: -65.815806
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: 1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -106.902003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.902003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.902003 (E_RNA)
where:
Base-Base interactions energy: -60.940
where: short stacking energy: -39.919
Base-Backbone interact. energy: 0.403
local terms energy: -46.364856
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -329.295421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.295421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.295421 (E_RNA)
where:
Base-Base interactions energy: -219.212
where: short stacking energy: -95.611
Base-Backbone interact. energy: -0.225
local terms energy: -109.858024
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -28.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -308.000089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.000089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.000089 (E_RNA)
where:
Base-Base interactions energy: -207.863
where: short stacking energy: -103.903
Base-Backbone interact. energy: -0.405
local terms energy: -99.731634
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -24.575
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: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -304.409129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.409129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.409129 (E_RNA)
where:
Base-Base interactions energy: -200.102
where: short stacking energy: -87.182
Base-Backbone interact. energy: -1.359
local terms energy: -102.948209
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -27.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -290.882935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.882935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.882935 (E_RNA)
where:
Base-Base interactions energy: -195.963
where: short stacking energy: -89.583
Base-Backbone interact. energy: -0.176
local terms energy: -94.743669
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -23.375
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: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -241.325622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.325622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.325622 (E_RNA)
where:
Base-Base interactions energy: -146.319
where: short stacking energy: -89.844
Base-Backbone interact. energy: -0.059
local terms energy: -94.947904
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -215.499358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.499358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.499358 (E_RNA)
where:
Base-Base interactions energy: -123.652
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.102
local terms energy: -91.745570
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -22.211
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: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -161.472703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.472703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.472703 (E_RNA)
where:
Base-Base interactions energy: -95.556
where: short stacking energy: -44.489
Base-Backbone interact. energy: 0.328
local terms energy: -66.244042
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -118.593234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.593234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.593234 (E_RNA)
where:
Base-Base interactions energy: -50.850
where: short stacking energy: -46.546
Base-Backbone interact. energy: -0.244
local terms energy: -67.499868
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -6.739
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: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -120.248512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.248512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.248512 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -41.865
Base-Backbone interact. energy: -0.422
local terms energy: -76.774288
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -5.336
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -106.856325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.856325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.856325 (E_RNA)
where:
Base-Base interactions energy: -48.042
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.067
local terms energy: -58.747669
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: 0.378
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: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -325.568819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.568819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.568819 (E_RNA)
where:
Base-Base interactions energy: -221.545
where: short stacking energy: -88.925
Base-Backbone interact. energy: -0.816
local terms energy: -103.207163
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -25.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -311.820990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.820990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.820990 (E_RNA)
where:
Base-Base interactions energy: -207.567
where: short stacking energy: -102.276
Base-Backbone interact. energy: -0.447
local terms energy: -103.806978
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -27.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -307.020266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.020266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.020266 (E_RNA)
where:
Base-Base interactions energy: -206.941
where: short stacking energy: -89.130
Base-Backbone interact. energy: -0.648
local terms energy: -99.430806
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -24.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -302.386253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.386253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.386253 (E_RNA)
where:
Base-Base interactions energy: -195.024
where: short stacking energy: -86.793
Base-Backbone interact. energy: -1.892
local terms energy: -105.470057
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -229.135411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.135411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.135411 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -79.564
Base-Backbone interact. energy: -0.163
local terms energy: -89.508136
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -197.798895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.798895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.798895 (E_RNA)
where:
Base-Base interactions energy: -110.110
where: short stacking energy: -63.854
Base-Backbone interact. energy: 0.819
local terms energy: -88.508083
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -13.909
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: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -159.768497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.768497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.768497 (E_RNA)
where:
Base-Base interactions energy: -93.081
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.281
local terms energy: -66.406720
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -20.502
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: 1.182
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: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -112.450949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.450949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.450949 (E_RNA)
where:
Base-Base interactions energy: -47.022
where: short stacking energy: -37.677
Base-Backbone interact. energy: -0.153
local terms energy: -65.276106
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -3.968
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: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -115.049114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.049114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.049114 (E_RNA)
where:
Base-Base interactions energy: -47.319
where: short stacking energy: -47.319
Base-Backbone interact. energy: -0.355
local terms energy: -67.375350
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -107.143709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.143709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.143709 (E_RNA)
where:
Base-Base interactions energy: -34.130
where: short stacking energy: -30.455
Base-Backbone interact. energy: -0.200
local terms energy: -72.813307
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -9.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -331.323628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.323628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.323628 (E_RNA)
where:
Base-Base interactions energy: -224.161
where: short stacking energy: -87.523
Base-Backbone interact. energy: -0.529
local terms energy: -106.633611
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -26.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -310.671840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.671840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.671840 (E_RNA)
where:
Base-Base interactions energy: -206.841
where: short stacking energy: -91.530
Base-Backbone interact. energy: 0.998
local terms energy: -104.829060
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -25.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -285.198457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.198457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.198457 (E_RNA)
where:
Base-Base interactions energy: -192.205
where: short stacking energy: -89.381
Base-Backbone interact. energy: -0.812
local terms energy: -92.181983
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -21.069
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: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -299.925109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.925109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.925109 (E_RNA)
where:
Base-Base interactions energy: -205.378
where: short stacking energy: -96.252
Base-Backbone interact. energy: 1.819
local terms energy: -96.365776
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -27.795
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: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -227.521913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.521913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.521913 (E_RNA)
where:
Base-Base interactions energy: -137.588
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.211
local terms energy: -89.723345
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -180.738285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.738285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.738285 (E_RNA)
where:
Base-Base interactions energy: -99.201
where: short stacking energy: -61.871
Base-Backbone interact. energy: -0.081
local terms energy: -81.456393
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -173.773247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.773247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.773247 (E_RNA)
where:
Base-Base interactions energy: -97.171
where: short stacking energy: -43.289
Base-Backbone interact. energy: -0.376
local terms energy: -76.226395
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -4.079
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: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -127.328738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.328738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.328738 (E_RNA)
where:
Base-Base interactions energy: -54.014
where: short stacking energy: -54.014
Base-Backbone interact. energy: -0.091
local terms energy: -73.224466
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -7.529
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -97.435372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.435372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.435372 (E_RNA)
where:
Base-Base interactions energy: -39.906
where: short stacking energy: -27.093
Base-Backbone interact. energy: -0.335
local terms energy: -57.195080
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -12.689
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: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -113.994331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.994331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.994331 (E_RNA)
where:
Base-Base interactions energy: -52.950
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.265
local terms energy: -60.778623
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -312.549891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.549891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.549891 (E_RNA)
where:
Base-Base interactions energy: -206.366
where: short stacking energy: -91.945
Base-Backbone interact. energy: -0.764
local terms energy: -105.420518
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -23.598
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: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -321.102386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.102386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.102386 (E_RNA)
where:
Base-Base interactions energy: -217.833
where: short stacking energy: -86.964
Base-Backbone interact. energy: -0.762
local terms energy: -102.507101
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -315.785860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.785860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.785860 (E_RNA)
where:
Base-Base interactions energy: -213.054
where: short stacking energy: -95.766
Base-Backbone interact. energy: -0.210
local terms energy: -102.521406
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -287.818220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.818220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.818220 (E_RNA)
where:
Base-Base interactions energy: -194.836
where: short stacking energy: -93.232
Base-Backbone interact. energy: 0.026
local terms energy: -93.008007
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -264.841007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.841007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.841007 (E_RNA)
where:
Base-Base interactions energy: -178.278
where: short stacking energy: -79.618
Base-Backbone interact. energy: 0.207
local terms energy: -86.769097
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -21.687
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: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -168.446761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.446761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.446761 (E_RNA)
where:
Base-Base interactions energy: -93.633
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.696
local terms energy: -74.116858
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -176.339063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.339063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.339063 (E_RNA)
where:
Base-Base interactions energy: -92.509
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.612
local terms energy: -83.217172
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -13.336
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: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -123.568539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.568539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.568539 (E_RNA)
where:
Base-Base interactions energy: -50.259
where: short stacking energy: -48.995
Base-Backbone interact. energy: -0.033
local terms energy: -73.276749
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -137.254595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.254595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.254595 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -48.796
Base-Backbone interact. energy: -1.547
local terms energy: -47.903346
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: 2.341
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -106.147075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.147075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.147075 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -34.143
Base-Backbone interact. energy: -0.346
local terms energy: -66.998627
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -314.939167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.939167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.939167 (E_RNA)
where:
Base-Base interactions energy: -207.615
where: short stacking energy: -87.342
Base-Backbone interact. energy: -0.697
local terms energy: -106.627489
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -28.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -306.847963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.847963 (E_RNA)
where:
Base-Base interactions energy: -198.777
where: short stacking energy: -96.919
Base-Backbone interact. energy: -0.147
local terms energy: -107.923835
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -316.936619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.936619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.936619 (E_RNA)
where:
Base-Base interactions energy: -210.737
where: short stacking energy: -101.043
Base-Backbone interact. energy: -0.118
local terms energy: -106.082263
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -26.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -281.623726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.623726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.623726 (E_RNA)
where:
Base-Base interactions energy: -184.176
where: short stacking energy: -87.038
Base-Backbone interact. energy: -0.009
local terms energy: -97.438447
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -264.261820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.261820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.261820 (E_RNA)
where:
Base-Base interactions energy: -183.194
where: short stacking energy: -75.456
Base-Backbone interact. energy: -2.116
local terms energy: -78.952226
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -15.591
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: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -172.448131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.448131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.448131 (E_RNA)
where:
Base-Base interactions energy: -85.171
where: short stacking energy: -49.555
Base-Backbone interact. energy: -0.432
local terms energy: -86.845492
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -167.143066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.143066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.143066 (E_RNA)
where:
Base-Base interactions energy: -91.689
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.134
local terms energy: -75.319980
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -10.253
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: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -153.028691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.028691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.028691 (E_RNA)
where:
Base-Base interactions energy: -80.485
where: short stacking energy: -49.297
Base-Backbone interact. energy: -0.117
local terms energy: -72.426798
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -114.858368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.858368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.858368 (E_RNA)
where:
Base-Base interactions energy: -48.376
where: short stacking energy: -47.153
Base-Backbone interact. energy: -0.129
local terms energy: -66.352950
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -4.091
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -94.880307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.880307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.880307 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.549
local terms energy: -56.580837
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -329.689011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.689011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.689011 (E_RNA)
where:
Base-Base interactions energy: -220.121
where: short stacking energy: -101.449
Base-Backbone interact. energy: -0.227
local terms energy: -109.340916
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -27.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -306.700280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.700280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.700280 (E_RNA)
where:
Base-Base interactions energy: -206.482
where: short stacking energy: -86.330
Base-Backbone interact. energy: -0.429
local terms energy: -99.789441
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -14.624
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: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -312.068340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.068340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.068340 (E_RNA)
where:
Base-Base interactions energy: -212.411
where: short stacking energy: -91.294
Base-Backbone interact. energy: -0.796
local terms energy: -98.861529
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -235.908191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.908191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.908191 (E_RNA)
where:
Base-Base interactions energy: -139.846
where: short stacking energy: -71.614
Base-Backbone interact. energy: -0.034
local terms energy: -96.027850
where:
bonds (distance) C4'-P energy: -22.134
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -19.083
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -251.285345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.285345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.285345 (E_RNA)
where:
Base-Base interactions energy: -163.796
where: short stacking energy: -86.289
Base-Backbone interact. energy: -0.433
local terms energy: -87.056565
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -187.117525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.117525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.117525 (E_RNA)
where:
Base-Base interactions energy: -102.455
where: short stacking energy: -54.987
Base-Backbone interact. energy: -0.983
local terms energy: -83.680274
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -8.922
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: 312
Temperature: 1.200000
Total energy: -166.798255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.798255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.798255 (E_RNA)
where:
Base-Base interactions energy: -101.880
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.129
local terms energy: -64.788769
where:
bonds (distance) C4'-P energy: -7.666
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -104.081853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.081853 (E_RNA)
where:
Base-Base interactions energy: -36.411
where: short stacking energy: -35.173
Base-Backbone interact. energy: 0.682
local terms energy: -68.352455
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: 0.556
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: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -118.637998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.637998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.637998 (E_RNA)
where:
Base-Base interactions energy: -62.511
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.867
local terms energy: -55.259767
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: 4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -96.042001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.042001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.042001 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -31.907
Base-Backbone interact. energy: -0.064
local terms energy: -64.070342
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -5.661
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: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -320.737560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.737560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.737560 (E_RNA)
where:
Base-Base interactions energy: -214.050
where: short stacking energy: -102.092
Base-Backbone interact. energy: -0.132
local terms energy: -106.555928
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -293.374638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.374638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.374638 (E_RNA)
where:
Base-Base interactions energy: -197.134
where: short stacking energy: -81.283
Base-Backbone interact. energy: -1.185
local terms energy: -95.055578
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -311.152800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.152800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.152800 (E_RNA)
where:
Base-Base interactions energy: -214.432
where: short stacking energy: -83.810
Base-Backbone interact. energy: -0.444
local terms energy: -96.276928
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -23.277
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: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -241.064368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.064368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.064368 (E_RNA)
where:
Base-Base interactions energy: -148.069
where: short stacking energy: -87.021
Base-Backbone interact. energy: -1.006
local terms energy: -91.989619
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -22.693
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: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -255.723502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.723502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.723502 (E_RNA)
where:
Base-Base interactions energy: -172.934
where: short stacking energy: -71.936
Base-Backbone interact. energy: -1.432
local terms energy: -81.357571
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -16.880
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: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -182.669580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.669580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.669580 (E_RNA)
where:
Base-Base interactions energy: -103.977
where: short stacking energy: -63.321
Base-Backbone interact. energy: -0.277
local terms energy: -78.415332
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -170.881820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.881820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.881820 (E_RNA)
where:
Base-Base interactions energy: -94.161
where: short stacking energy: -42.936
Base-Backbone interact. energy: -0.765
local terms energy: -75.955796
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -9.498
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: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -122.424308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.424308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.424308 (E_RNA)
where:
Base-Base interactions energy: -64.787
where: short stacking energy: -40.028
Base-Backbone interact. energy: 0.179
local terms energy: -57.815733
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -6.790
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -123.062522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.062522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.062522 (E_RNA)
where:
Base-Base interactions energy: -51.686
where: short stacking energy: -52.015
Base-Backbone interact. energy: -0.128
local terms energy: -71.248983
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.287
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: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -119.454499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.454499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.454499 (E_RNA)
where:
Base-Base interactions energy: -56.108
where: short stacking energy: -39.866
Base-Backbone interact. energy: -0.366
local terms energy: -62.980152
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -7.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -304.798591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.798591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.798591 (E_RNA)
where:
Base-Base interactions energy: -204.725
where: short stacking energy: -87.447
Base-Backbone interact. energy: -0.147
local terms energy: -99.926611
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -313.121549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.121549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.121549 (E_RNA)
where:
Base-Base interactions energy: -209.408
where: short stacking energy: -94.458
Base-Backbone interact. energy: -0.224
local terms energy: -103.489093
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -18.766
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: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -309.374191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.374191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.374191 (E_RNA)
where:
Base-Base interactions energy: -213.863
where: short stacking energy: -79.761
Base-Backbone interact. energy: 1.781
local terms energy: -97.292497
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -242.959574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.959574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.959574 (E_RNA)
where:
Base-Base interactions energy: -154.233
where: short stacking energy: -72.305
Base-Backbone interact. energy: 1.042
local terms energy: -89.768840
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -23.706
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -242.083807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.083807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.083807 (E_RNA)
where:
Base-Base interactions energy: -167.855
where: short stacking energy: -73.525
Base-Backbone interact. energy: -0.664
local terms energy: -73.564697
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -176.210466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.210466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.210466 (E_RNA)
where:
Base-Base interactions energy: -96.738
where: short stacking energy: -60.749
Base-Backbone interact. energy: 0.453
local terms energy: -79.925391
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -9.519
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: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -156.479545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.479545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.479545 (E_RNA)
where:
Base-Base interactions energy: -81.693
where: short stacking energy: -53.306
Base-Backbone interact. energy: -0.171
local terms energy: -74.616385
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -117.055103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.055103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.055103 (E_RNA)
where:
Base-Base interactions energy: -44.599
where: short stacking energy: -22.845
Base-Backbone interact. energy: -0.305
local terms energy: -72.150747
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: 0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -108.853046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.853046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.853046 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -25.587
Base-Backbone interact. energy: 1.581
local terms energy: -67.196909
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -8.672
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: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -110.018153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.018153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.018153 (E_RNA)
where:
Base-Base interactions energy: -39.002
where: short stacking energy: -37.185
Base-Backbone interact. energy: -0.133
local terms energy: -70.883090
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -3.671
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: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -318.678148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.678148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.678148 (E_RNA)
where:
Base-Base interactions energy: -209.916
where: short stacking energy: -93.515
Base-Backbone interact. energy: -0.854
local terms energy: -107.907944
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -27.025
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: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -303.631331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.631331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.631331 (E_RNA)
where:
Base-Base interactions energy: -201.230
where: short stacking energy: -102.158
Base-Backbone interact. energy: -0.994
local terms energy: -101.407658
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -316.624093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.624093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.624093 (E_RNA)
where:
Base-Base interactions energy: -208.903
where: short stacking energy: -104.517
Base-Backbone interact. energy: -0.212
local terms energy: -107.509479
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -23.337
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -29.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -270.672157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.672157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.672157 (E_RNA)
where:
Base-Base interactions energy: -182.608
where: short stacking energy: -82.336
Base-Backbone interact. energy: -0.745
local terms energy: -87.319590
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -19.284
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: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -247.066729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.066729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.066729 (E_RNA)
where:
Base-Base interactions energy: -162.073
where: short stacking energy: -71.413
Base-Backbone interact. energy: -0.827
local terms energy: -84.166774
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -13.693
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: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -166.963880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.963880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.963880 (E_RNA)
where:
Base-Base interactions energy: -84.380
where: short stacking energy: -55.101
Base-Backbone interact. energy: 0.151
local terms energy: -82.734834
where:
bonds (distance) C4'-P energy: -22.603
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -127.841675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.841675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.841675 (E_RNA)
where:
Base-Base interactions energy: -54.073
where: short stacking energy: -40.514
Base-Backbone interact. energy: -1.560
local terms energy: -72.208815
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -1.616
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: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -108.824178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.824178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.824178 (E_RNA)
where:
Base-Base interactions energy: -42.554
where: short stacking energy: -27.772
Base-Backbone interact. energy: -1.277
local terms energy: -64.992953
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -104.075402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.075402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.075402 (E_RNA)
where:
Base-Base interactions energy: -39.688
where: short stacking energy: -27.709
Base-Backbone interact. energy: -0.255
local terms energy: -64.131964
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -3.482
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: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -112.828000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.828000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.828000 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -37.368
Base-Backbone interact. energy: 0.696
local terms energy: -75.586780
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -6.514
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: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -306.650899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.650899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.650899 (E_RNA)
where:
Base-Base interactions energy: -207.760
where: short stacking energy: -81.378
Base-Backbone interact. energy: -1.212
local terms energy: -97.679212
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -24.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -310.786781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.786781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.786781 (E_RNA)
where:
Base-Base interactions energy: -207.575
where: short stacking energy: -92.083
Base-Backbone interact. energy: -0.019
local terms energy: -103.192502
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -311.709331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.709331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.709331 (E_RNA)
where:
Base-Base interactions energy: -203.663
where: short stacking energy: -94.529
Base-Backbone interact. energy: -0.163
local terms energy: -107.883485
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -27.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -283.260249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.260249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.260249 (E_RNA)
where:
Base-Base interactions energy: -182.102
where: short stacking energy: -78.757
Base-Backbone interact. energy: 0.557
local terms energy: -101.714910
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -16.115
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: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -267.848706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.848706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.848706 (E_RNA)
where:
Base-Base interactions energy: -173.613
where: short stacking energy: -77.404
Base-Backbone interact. energy: -0.432
local terms energy: -93.804203
where:
bonds (distance) C4'-P energy: -23.713
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -13.448
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: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -179.399451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.399451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.399451 (E_RNA)
where:
Base-Base interactions energy: -109.332
where: short stacking energy: -53.006
Base-Backbone interact. energy: -0.764
local terms energy: -69.303454
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -7.079
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: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -130.725367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.725367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.725367 (E_RNA)
where:
Base-Base interactions energy: -48.872
where: short stacking energy: -43.960
Base-Backbone interact. energy: 0.061
local terms energy: -81.915244
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -111.582525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.582525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.582525 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -40.019
Base-Backbone interact. energy: -0.380
local terms energy: -71.183824
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -112.616038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.616038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.616038 (E_RNA)
where:
Base-Base interactions energy: -44.210
where: short stacking energy: -26.402
Base-Backbone interact. energy: -1.091
local terms energy: -67.315078
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -11.819
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: 316
Temperature: 1.350000
Total energy: -98.255376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.255376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.255376 (E_RNA)
where:
Base-Base interactions energy: -44.510
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.335
local terms energy: -53.410241
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: 2.310
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: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -306.280613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.280613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.280613 (E_RNA)
where:
Base-Base interactions energy: -196.092
where: short stacking energy: -86.173
Base-Backbone interact. energy: -0.828
local terms energy: -109.360646
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -24.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -306.849311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.849311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.849311 (E_RNA)
where:
Base-Base interactions energy: -203.488
where: short stacking energy: -89.851
Base-Backbone interact. energy: 0.988
local terms energy: -104.349475
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -304.308002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.308002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.308002 (E_RNA)
where:
Base-Base interactions energy: -199.314
where: short stacking energy: -93.132
Base-Backbone interact. energy: -0.028
local terms energy: -104.965745
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -30.413
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: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -282.972750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.972750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.972750 (E_RNA)
where:
Base-Base interactions energy: -189.391
where: short stacking energy: -81.732
Base-Backbone interact. energy: -0.150
local terms energy: -93.431712
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -264.728585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.728585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.728585 (E_RNA)
where:
Base-Base interactions energy: -166.703
where: short stacking energy: -75.092
Base-Backbone interact. energy: -0.520
local terms energy: -97.505744
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -176.459144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.459144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.459144 (E_RNA)
where:
Base-Base interactions energy: -105.883
where: short stacking energy: -68.519
Base-Backbone interact. energy: -0.911
local terms energy: -69.665784
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -8.069
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: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -128.231392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.231392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.231392 (E_RNA)
where:
Base-Base interactions energy: -55.966
where: short stacking energy: -42.980
Base-Backbone interact. energy: 4.084
local terms energy: -76.349799
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -124.440148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.440148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.440148 (E_RNA)
where:
Base-Base interactions energy: -48.326
where: short stacking energy: -46.261
Base-Backbone interact. energy: -0.129
local terms energy: -75.984265
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -112.131940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.131940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.131940 (E_RNA)
where:
Base-Base interactions energy: -51.279
where: short stacking energy: -35.488
Base-Backbone interact. energy: 1.424
local terms energy: -62.276816
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -120.364253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.364253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.364253 (E_RNA)
where:
Base-Base interactions energy: -47.453
where: short stacking energy: -40.312
Base-Backbone interact. energy: -0.986
local terms energy: -71.924927
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -324.127628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.127628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.127628 (E_RNA)
where:
Base-Base interactions energy: -226.912
where: short stacking energy: -93.164
Base-Backbone interact. energy: -0.957
local terms energy: -96.258610
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -25.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -315.780026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.780026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.780026 (E_RNA)
where:
Base-Base interactions energy: -211.994
where: short stacking energy: -88.894
Base-Backbone interact. energy: 0.573
local terms energy: -104.359427
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -267.346569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.346569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.346569 (E_RNA)
where:
Base-Base interactions energy: -184.336
where: short stacking energy: -89.602
Base-Backbone interact. energy: 0.696
local terms energy: -83.706465
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -292.770050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.770050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.770050 (E_RNA)
where:
Base-Base interactions energy: -194.469
where: short stacking energy: -93.546
Base-Backbone interact. energy: -0.235
local terms energy: -98.065866
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -265.993222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.993222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.993222 (E_RNA)
where:
Base-Base interactions energy: -172.867
where: short stacking energy: -79.003
Base-Backbone interact. energy: 0.332
local terms energy: -93.458465
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -15.885
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: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -167.303670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.303670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.303670 (E_RNA)
where:
Base-Base interactions energy: -87.191
where: short stacking energy: -50.527
Base-Backbone interact. energy: 1.356
local terms energy: -81.468880
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -12.005
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: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -136.114895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.114895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.114895 (E_RNA)
where:
Base-Base interactions energy: -69.868
where: short stacking energy: -43.462
Base-Backbone interact. energy: -0.488
local terms energy: -65.758280
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -150.296395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.296395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.296395 (E_RNA)
where:
Base-Base interactions energy: -86.401
where: short stacking energy: -45.838
Base-Backbone interact. energy: -0.028
local terms energy: -63.867609
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -120.095934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.095934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.095934 (E_RNA)
where:
Base-Base interactions energy: -47.779
where: short stacking energy: -36.758
Base-Backbone interact. energy: -0.135
local terms energy: -72.181553
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -109.164113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.164113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.164113 (E_RNA)
where:
Base-Base interactions energy: -44.935
where: short stacking energy: -33.714
Base-Backbone interact. energy: 0.154
local terms energy: -64.382462
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -306.160846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.160846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.160846 (E_RNA)
where:
Base-Base interactions energy: -202.206
where: short stacking energy: -75.932
Base-Backbone interact. energy: -2.079
local terms energy: -101.875445
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -20.925
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: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -300.213680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.213680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.213680 (E_RNA)
where:
Base-Base interactions energy: -210.780
where: short stacking energy: -95.037
Base-Backbone interact. energy: -0.175
local terms energy: -89.259487
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -280.814578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.814578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.814578 (E_RNA)
where:
Base-Base interactions energy: -181.120
where: short stacking energy: -78.051
Base-Backbone interact. energy: 0.741
local terms energy: -100.435252
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -285.259764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.259764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.259764 (E_RNA)
where:
Base-Base interactions energy: -186.922
where: short stacking energy: -88.361
Base-Backbone interact. energy: -0.406
local terms energy: -97.931964
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -27.132
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: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -237.725113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.725113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.725113 (E_RNA)
where:
Base-Base interactions energy: -151.629
where: short stacking energy: -74.051
Base-Backbone interact. energy: 1.081
local terms energy: -87.176468
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -13.809
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: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -174.691967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.691967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.691967 (E_RNA)
where:
Base-Base interactions energy: -94.207
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.933
local terms energy: -79.551750
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.827
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: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -209.389094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.389094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.389094 (E_RNA)
where:
Base-Base interactions energy: -130.789
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.080
local terms energy: -78.519699
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -19.030
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -140.062964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.062964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.062964 (E_RNA)
where:
Base-Base interactions energy: -82.897
where: short stacking energy: -36.571
Base-Backbone interact. energy: -0.352
local terms energy: -56.813051
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -10.820
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: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -107.191417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.191417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.191417 (E_RNA)
where:
Base-Base interactions energy: -46.595
where: short stacking energy: -41.506
Base-Backbone interact. energy: 0.678
local terms energy: -61.273742
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -104.530969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.530969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.530969 (E_RNA)
where:
Base-Base interactions energy: -52.616
where: short stacking energy: -44.107
Base-Backbone interact. energy: 2.596
local terms energy: -54.511310
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -1.911
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -316.743703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.743703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.743703 (E_RNA)
where:
Base-Base interactions energy: -212.688
where: short stacking energy: -97.446
Base-Backbone interact. energy: -0.628
local terms energy: -103.427209
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -316.104763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.104763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.104763 (E_RNA)
where:
Base-Base interactions energy: -211.109
where: short stacking energy: -88.839
Base-Backbone interact. energy: -0.153
local terms energy: -104.842834
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -23.265
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: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -284.115839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.115839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.115839 (E_RNA)
where:
Base-Base interactions energy: -182.709
where: short stacking energy: -87.136
Base-Backbone interact. energy: 0.310
local terms energy: -101.716896
where:
bonds (distance) C4'-P energy: -24.103
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -12.262
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: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -293.656451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.656451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.656451 (E_RNA)
where:
Base-Base interactions energy: -199.905
where: short stacking energy: -91.729
Base-Backbone interact. energy: -0.329
local terms energy: -93.422582
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -230.031762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.031762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.031762 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.282
local terms energy: -88.156802
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -165.609563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.609563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.609563 (E_RNA)
where:
Base-Base interactions energy: -98.346
where: short stacking energy: -49.839
Base-Backbone interact. energy: -0.240
local terms energy: -67.023597
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -9.073
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: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -185.502907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.502907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.502907 (E_RNA)
where:
Base-Base interactions energy: -105.038
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.143
local terms energy: -80.322439
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -17.387
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: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -116.186947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.186947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.186947 (E_RNA)
where:
Base-Base interactions energy: -47.416
where: short stacking energy: -42.232
Base-Backbone interact. energy: 0.393
local terms energy: -69.163663
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -8.869
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: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -109.774678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.774678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.774678 (E_RNA)
where:
Base-Base interactions energy: -49.219
where: short stacking energy: -36.263
Base-Backbone interact. energy: 2.118
local terms energy: -62.674130
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -1.189
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: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -99.848921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.848921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.848921 (E_RNA)
where:
Base-Base interactions energy: -41.390
where: short stacking energy: -35.480
Base-Backbone interact. energy: -0.285
local terms energy: -58.174007
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: 1.717
tors. eta vs tors. theta energy: -3.353
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: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -317.406434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.406434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.406434 (E_RNA)
where:
Base-Base interactions energy: -212.731
where: short stacking energy: -97.877
Base-Backbone interact. energy: -0.909
local terms energy: -103.766449
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -27.775
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: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -306.433763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.433763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.433763 (E_RNA)
where:
Base-Base interactions energy: -204.471
where: short stacking energy: -90.976
Base-Backbone interact. energy: -0.320
local terms energy: -101.642653
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -25.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -307.150633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.150633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.150633 (E_RNA)
where:
Base-Base interactions energy: -199.821
where: short stacking energy: -85.012
Base-Backbone interact. energy: 0.474
local terms energy: -107.803121
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -22.106
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: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -309.795999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.795999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.795999 (E_RNA)
where:
Base-Base interactions energy: -211.743
where: short stacking energy: -94.694
Base-Backbone interact. energy: -0.588
local terms energy: -97.464326
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -229.023513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.023513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.023513 (E_RNA)
where:
Base-Base interactions energy: -132.187
where: short stacking energy: -68.683
Base-Backbone interact. energy: -1.033
local terms energy: -95.803515
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -207.434749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.434749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.434749 (E_RNA)
where:
Base-Base interactions energy: -124.110
where: short stacking energy: -62.597
Base-Backbone interact. energy: -0.097
local terms energy: -83.227451
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -158.128536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.128536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.128536 (E_RNA)
where:
Base-Base interactions energy: -84.564
where: short stacking energy: -54.654
Base-Backbone interact. energy: -0.835
local terms energy: -72.729116
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -14.783
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: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -151.809511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.809511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.809511 (E_RNA)
where:
Base-Base interactions energy: -79.162
where: short stacking energy: -43.273
Base-Backbone interact. energy: -0.309
local terms energy: -72.338818
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -103.693354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.693354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.693354 (E_RNA)
where:
Base-Base interactions energy: -41.722
where: short stacking energy: -30.882
Base-Backbone interact. energy: -0.272
local terms energy: -61.699711
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: 2.455
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: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -113.331421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.331421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.331421 (E_RNA)
where:
Base-Base interactions energy: -50.826
where: short stacking energy: -37.028
Base-Backbone interact. energy: 1.911
local terms energy: -64.415823
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -302.088291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.088291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.088291 (E_RNA)
where:
Base-Base interactions energy: -194.428
where: short stacking energy: -98.231
Base-Backbone interact. energy: -0.058
local terms energy: -107.602393
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -25.724
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -304.676110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.676110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.676110 (E_RNA)
where:
Base-Base interactions energy: -207.332
where: short stacking energy: -85.926
Base-Backbone interact. energy: -0.352
local terms energy: -96.991621
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -23.767
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -299.268680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.268680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.268680 (E_RNA)
where:
Base-Base interactions energy: -199.989
where: short stacking energy: -91.335
Base-Backbone interact. energy: -0.165
local terms energy: -99.114977
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -29.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -300.497696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.497696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.497696 (E_RNA)
where:
Base-Base interactions energy: -189.790
where: short stacking energy: -80.374
Base-Backbone interact. energy: -0.105
local terms energy: -110.602461
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -252.842332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.842332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.842332 (E_RNA)
where:
Base-Base interactions energy: -160.535
where: short stacking energy: -78.548
Base-Backbone interact. energy: -0.096
local terms energy: -92.211242
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -15.301
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: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -171.729073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.729073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.729073 (E_RNA)
where:
Base-Base interactions energy: -94.111
where: short stacking energy: -49.816
Base-Backbone interact. energy: -0.407
local terms energy: -77.211229
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -7.312
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: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -181.996067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.996067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.996067 (E_RNA)
where:
Base-Base interactions energy: -98.296
where: short stacking energy: -56.392
Base-Backbone interact. energy: -0.082
local terms energy: -83.617627
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -13.535
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: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -109.945709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.945709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.945709 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -35.829
Base-Backbone interact. energy: -0.138
local terms energy: -73.978522
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -3.845
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: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -111.059875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.059875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.059875 (E_RNA)
where:
Base-Base interactions energy: -68.410
where: short stacking energy: -37.361
Base-Backbone interact. energy: -0.427
local terms energy: -42.222913
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: 2.396
tors. eta vs tors. theta energy: 2.485
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: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -98.842513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.842513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.842513 (E_RNA)
where:
Base-Base interactions energy: -41.278
where: short stacking energy: -37.025
Base-Backbone interact. energy: 3.806
local terms energy: -61.371065
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: 0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -315.633811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.633811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.633811 (E_RNA)
where:
Base-Base interactions energy: -207.989
where: short stacking energy: -91.030
Base-Backbone interact. energy: -0.277
local terms energy: -107.368077
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -24.913
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -25.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -305.800849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.800849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.800849 (E_RNA)
where:
Base-Base interactions energy: -208.636
where: short stacking energy: -94.146
Base-Backbone interact. energy: -0.171
local terms energy: -96.994602
where:
bonds (distance) C4'-P energy: -22.654
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -298.316434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.316434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.316434 (E_RNA)
where:
Base-Base interactions energy: -202.441
where: short stacking energy: -92.677
Base-Backbone interact. energy: -0.436
local terms energy: -95.438938
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -293.423960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.423960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.423960 (E_RNA)
where:
Base-Base interactions energy: -199.360
where: short stacking energy: -85.549
Base-Backbone interact. energy: -0.951
local terms energy: -93.112355
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -20.830
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: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -232.273214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.273214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.273214 (E_RNA)
where:
Base-Base interactions energy: -146.989
where: short stacking energy: -65.475
Base-Backbone interact. energy: -0.321
local terms energy: -84.963618
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -199.700718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.700718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.700718 (E_RNA)
where:
Base-Base interactions energy: -119.748
where: short stacking energy: -56.548
Base-Backbone interact. energy: -1.026
local terms energy: -78.926798
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -11.272
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: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -173.595765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.595765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.595765 (E_RNA)
where:
Base-Base interactions energy: -106.016
where: short stacking energy: -52.153
Base-Backbone interact. energy: -0.674
local terms energy: -66.905951
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -126.406210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.406210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.406210 (E_RNA)
where:
Base-Base interactions energy: -44.225
where: short stacking energy: -39.292
Base-Backbone interact. energy: -0.496
local terms energy: -81.685964
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -6.724
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: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -105.823686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.823686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.823686 (E_RNA)
where:
Base-Base interactions energy: -32.729
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.116
local terms energy: -72.978616
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -107.520528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.520528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.520528 (E_RNA)
where:
Base-Base interactions energy: -36.852
where: short stacking energy: -31.465
Base-Backbone interact. energy: -0.363
local terms energy: -70.305877
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -329.067413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.067413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.067413 (E_RNA)
where:
Base-Base interactions energy: -221.106
where: short stacking energy: -96.049
Base-Backbone interact. energy: -0.933
local terms energy: -107.028774
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -304.068602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.068602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.068602 (E_RNA)
where:
Base-Base interactions energy: -202.117
where: short stacking energy: -97.430
Base-Backbone interact. energy: -0.219
local terms energy: -101.732894
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -27.393
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: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -289.249096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.249096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.249096 (E_RNA)
where:
Base-Base interactions energy: -190.269
where: short stacking energy: -79.150
Base-Backbone interact. energy: -0.640
local terms energy: -98.339695
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -24.489
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -296.272085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.272085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.272085 (E_RNA)
where:
Base-Base interactions energy: -200.913
where: short stacking energy: -92.399
Base-Backbone interact. energy: -0.499
local terms energy: -94.860057
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -254.046297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.046297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.046297 (E_RNA)
where:
Base-Base interactions energy: -161.323
where: short stacking energy: -74.103
Base-Backbone interact. energy: -1.025
local terms energy: -91.698373
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -22.132
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: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -158.676465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.676465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.676465 (E_RNA)
where:
Base-Base interactions energy: -82.773
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.182
local terms energy: -75.721074
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -5.350
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: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -121.348646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.348646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.348646 (E_RNA)
where:
Base-Base interactions energy: -58.110
where: short stacking energy: -40.627
Base-Backbone interact. energy: -0.406
local terms energy: -62.832795
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -8.977
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: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -168.331754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.331754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.331754 (E_RNA)
where:
Base-Base interactions energy: -91.355
where: short stacking energy: -51.918
Base-Backbone interact. energy: -0.152
local terms energy: -76.824500
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -9.534
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: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -102.247343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.247343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.247343 (E_RNA)
where:
Base-Base interactions energy: -41.441
where: short stacking energy: -40.933
Base-Backbone interact. energy: -0.330
local terms energy: -60.475989
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -97.541965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.541965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.541965 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -28.227
Base-Backbone interact. energy: -1.140
local terms energy: -65.890188
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -2.820
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: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -329.152650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.152650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.152650 (E_RNA)
where:
Base-Base interactions energy: -220.659
where: short stacking energy: -100.990
Base-Backbone interact. energy: 0.098
local terms energy: -108.591938
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -27.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -305.287393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.287393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.287393 (E_RNA)
where:
Base-Base interactions energy: -204.634
where: short stacking energy: -88.952
Base-Backbone interact. energy: -1.056
local terms energy: -99.596906
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -26.820
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: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -294.966240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.966240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.966240 (E_RNA)
where:
Base-Base interactions energy: -199.641
where: short stacking energy: -84.883
Base-Backbone interact. energy: -1.032
local terms energy: -94.293817
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -304.032935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.032935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.032935 (E_RNA)
where:
Base-Base interactions energy: -202.840
where: short stacking energy: -100.966
Base-Backbone interact. energy: -0.420
local terms energy: -100.772615
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -25.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -248.600439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.600439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.600439 (E_RNA)
where:
Base-Base interactions energy: -160.959
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.392
local terms energy: -87.249709
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -17.158
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: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -168.092024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.092024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.092024 (E_RNA)
where:
Base-Base interactions energy: -84.941
where: short stacking energy: -51.243
Base-Backbone interact. energy: -0.288
local terms energy: -82.863280
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -5.371
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: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -170.070416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.070416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.070416 (E_RNA)
where:
Base-Base interactions energy: -89.839
where: short stacking energy: -56.188
Base-Backbone interact. energy: 0.007
local terms energy: -80.238065
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -113.397892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.397892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.397892 (E_RNA)
where:
Base-Base interactions energy: -37.422
where: short stacking energy: -33.355
Base-Backbone interact. energy: -0.650
local terms energy: -75.326063
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -4.257
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: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -112.638674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.638674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.638674 (E_RNA)
where:
Base-Base interactions energy: -43.488
where: short stacking energy: -41.561
Base-Backbone interact. energy: -0.010
local terms energy: -69.140605
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -101.564785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.564785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.564785 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -31.195
Base-Backbone interact. energy: -0.538
local terms energy: -65.703517
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: 0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -327.603659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.603659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.603659 (E_RNA)
where:
Base-Base interactions energy: -216.909
where: short stacking energy: -97.349
Base-Backbone interact. energy: -0.870
local terms energy: -109.824159
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -28.924
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: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -297.921922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.921922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.921922 (E_RNA)
where:
Base-Base interactions energy: -191.971
where: short stacking energy: -90.611
Base-Backbone interact. energy: -0.232
local terms energy: -105.719325
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -311.172097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.172097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.172097 (E_RNA)
where:
Base-Base interactions energy: -204.501
where: short stacking energy: -91.235
Base-Backbone interact. energy: -0.569
local terms energy: -106.101643
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -26.073
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: 326
Temperature: 1.050000
Total energy: -286.185631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.185631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.185631 (E_RNA)
where:
Base-Base interactions energy: -189.537
where: short stacking energy: -80.784
Base-Backbone interact. energy: -0.416
local terms energy: -96.233153
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -23.944
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: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -176.527247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.527247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.527247 (E_RNA)
where:
Base-Base interactions energy: -91.105
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.063
local terms energy: -85.359503
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -226.271537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.271537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.271537 (E_RNA)
where:
Base-Base interactions energy: -137.630
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.535
local terms energy: -88.106986
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -13.938
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: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -158.687981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.687981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.687981 (E_RNA)
where:
Base-Base interactions energy: -85.016
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.252
local terms energy: -73.419702
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -8.996
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: 326
Temperature: 1.250000
Total energy: -116.200841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.200841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.200841 (E_RNA)
where:
Base-Base interactions energy: -54.915
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.298
local terms energy: -60.987631
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -108.466195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.466195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.466195 (E_RNA)
where:
Base-Base interactions energy: -49.357
where: short stacking energy: -37.597
Base-Backbone interact. energy: -0.131
local terms energy: -58.979030
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: 1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -102.814043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.814043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.814043 (E_RNA)
where:
Base-Base interactions energy: -39.634
where: short stacking energy: -39.634
Base-Backbone interact. energy: 0.970
local terms energy: -64.150508
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -338.184676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.184676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.184676 (E_RNA)
where:
Base-Base interactions energy: -224.852
where: short stacking energy: -101.470
Base-Backbone interact. energy: -0.207
local terms energy: -113.124810
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -304.263002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.263002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.263002 (E_RNA)
where:
Base-Base interactions energy: -204.874
where: short stacking energy: -88.637
Base-Backbone interact. energy: -0.329
local terms energy: -99.060304
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -25.458
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: 327
Temperature: 1.000000
Total energy: -304.690583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.690583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.690583 (E_RNA)
where:
Base-Base interactions energy: -202.676
where: short stacking energy: -80.738
Base-Backbone interact. energy: -0.648
local terms energy: -101.365973
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -18.311
tors. eta vs tors. theta energy: -26.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -293.476762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.476762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.476762 (E_RNA)
where:
Base-Base interactions energy: -193.108
where: short stacking energy: -88.862
Base-Backbone interact. energy: -0.640
local terms energy: -99.729059
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -159.999588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.999588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.999588 (E_RNA)
where:
Base-Base interactions energy: -82.663
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.149
local terms energy: -77.187173
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -216.173991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.173991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.173991 (E_RNA)
where:
Base-Base interactions energy: -128.451
where: short stacking energy: -71.344
Base-Backbone interact. energy: -0.180
local terms energy: -87.542899
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -113.793105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.793105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.793105 (E_RNA)
where:
Base-Base interactions energy: -45.008
where: short stacking energy: -43.134
Base-Backbone interact. energy: -0.166
local terms energy: -68.619125
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -11.583
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: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -122.797472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.797472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.797472 (E_RNA)
where:
Base-Base interactions energy: -51.270
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.119
local terms energy: -71.409257
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -10.407
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: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -125.843977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.843977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.843977 (E_RNA)
where:
Base-Base interactions energy: -49.896
where: short stacking energy: -49.183
Base-Backbone interact. energy: 0.229
local terms energy: -76.176966
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -107.285475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.285475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.285475 (E_RNA)
where:
Base-Base interactions energy: -46.539
where: short stacking energy: -35.149
Base-Backbone interact. energy: 0.215
local terms energy: -60.961404
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: 2.642
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: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -328.757277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.757277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.757277 (E_RNA)
where:
Base-Base interactions energy: -219.898
where: short stacking energy: -98.480
Base-Backbone interact. energy: -0.246
local terms energy: -108.613946
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -305.573095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.573095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.573095 (E_RNA)
where:
Base-Base interactions energy: -199.407
where: short stacking energy: -88.070
Base-Backbone interact. energy: 0.308
local terms energy: -106.474449
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -29.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -312.149022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.149022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.149022 (E_RNA)
where:
Base-Base interactions energy: -215.507
where: short stacking energy: -94.819
Base-Backbone interact. energy: -0.399
local terms energy: -96.242369
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -271.363137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.363137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.363137 (E_RNA)
where:
Base-Base interactions energy: -179.526
where: short stacking energy: -81.160
Base-Backbone interact. energy: -0.277
local terms energy: -91.560158
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -19.436
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: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -251.574804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.574804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.574804 (E_RNA)
where:
Base-Base interactions energy: -164.351
where: short stacking energy: -83.518
Base-Backbone interact. energy: -0.410
local terms energy: -86.813873
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -162.328258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.328258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.328258 (E_RNA)
where:
Base-Base interactions energy: -77.665
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.016
local terms energy: -84.647157
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -9.476
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: 328
Temperature: 1.200000
Total energy: -124.984580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.984580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.984580 (E_RNA)
where:
Base-Base interactions energy: -48.259
where: short stacking energy: -48.259
Base-Backbone interact. energy: 0.519
local terms energy: -77.243909
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -3.954
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: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -159.323772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.323772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.323772 (E_RNA)
where:
Base-Base interactions energy: -76.213
where: short stacking energy: -47.191
Base-Backbone interact. energy: -0.117
local terms energy: -82.993641
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -102.138118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.138118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.138118 (E_RNA)
where:
Base-Base interactions energy: -34.922
where: short stacking energy: -34.922
Base-Backbone interact. energy: 3.956
local terms energy: -71.171638
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -92.151740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.151740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.151740 (E_RNA)
where:
Base-Base interactions energy: -26.638
where: short stacking energy: -23.422
Base-Backbone interact. energy: -0.882
local terms energy: -64.631434
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: 3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -330.271461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.271461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.271461 (E_RNA)
where:
Base-Base interactions energy: -224.907
where: short stacking energy: -99.435
Base-Backbone interact. energy: 1.865
local terms energy: -107.228563
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -28.408
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: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -309.971032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.971032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.971032 (E_RNA)
where:
Base-Base interactions energy: -209.364
where: short stacking energy: -87.561
Base-Backbone interact. energy: 0.405
local terms energy: -101.011551
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -298.104875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.104875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.104875 (E_RNA)
where:
Base-Base interactions energy: -197.822
where: short stacking energy: -90.375
Base-Backbone interact. energy: -0.488
local terms energy: -99.795308
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -26.694
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: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -251.881356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.881356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.881356 (E_RNA)
where:
Base-Base interactions energy: -162.948
where: short stacking energy: -74.824
Base-Backbone interact. energy: -0.619
local terms energy: -88.314214
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -16.030
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: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -268.354093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.354093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.354093 (E_RNA)
where:
Base-Base interactions energy: -179.453
where: short stacking energy: -72.954
Base-Backbone interact. energy: -1.027
local terms energy: -87.874572
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -10.103
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: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -208.053302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.053302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.053302 (E_RNA)
where:
Base-Base interactions energy: -122.660
where: short stacking energy: -64.825
Base-Backbone interact. energy: -0.025
local terms energy: -85.368264
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -10.765
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -125.931822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.931822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.931822 (E_RNA)
where:
Base-Base interactions energy: -52.555
where: short stacking energy: -52.555
Base-Backbone interact. energy: -0.049
local terms energy: -73.327527
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -15.499
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: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -148.088434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.088434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.088434 (E_RNA)
where:
Base-Base interactions energy: -74.828
where: short stacking energy: -46.114
Base-Backbone interact. energy: 0.198
local terms energy: -73.458650
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -102.429440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.429440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.429440 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -36.706
Base-Backbone interact. energy: 0.243
local terms energy: -64.626637
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -105.052406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.052406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.052406 (E_RNA)
where:
Base-Base interactions energy: -43.566
where: short stacking energy: -26.314
Base-Backbone interact. energy: -0.440
local terms energy: -61.046773
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: 4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -332.155141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.155141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.155141 (E_RNA)
where:
Base-Base interactions energy: -224.393
where: short stacking energy: -99.882
Base-Backbone interact. energy: -0.221
local terms energy: -107.540583
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -320.267783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.267783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.267783 (E_RNA)
where:
Base-Base interactions energy: -205.795
where: short stacking energy: -95.830
Base-Backbone interact. energy: -0.694
local terms energy: -113.778828
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -24.221
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -27.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -311.318434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.318434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.318434 (E_RNA)
where:
Base-Base interactions energy: -209.732
where: short stacking energy: -89.916
Base-Backbone interact. energy: -0.102
local terms energy: -101.484126
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -243.641799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.641799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.641799 (E_RNA)
where:
Base-Base interactions energy: -150.951
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.496
local terms energy: -92.195065
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -10.709
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: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -277.442080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.442080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.442080 (E_RNA)
where:
Base-Base interactions energy: -183.451
where: short stacking energy: -84.590
Base-Backbone interact. energy: -0.392
local terms energy: -93.598670
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -212.572221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.572221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.572221 (E_RNA)
where:
Base-Base interactions energy: -124.952
where: short stacking energy: -64.060
Base-Backbone interact. energy: -0.029
local terms energy: -87.591281
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -13.613
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: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -158.352580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.352580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.352580 (E_RNA)
where:
Base-Base interactions energy: -83.160
where: short stacking energy: -50.809
Base-Backbone interact. energy: -0.182
local terms energy: -75.011230
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -8.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -108.764979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.764979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.764979 (E_RNA)
where:
Base-Base interactions energy: -53.640
where: short stacking energy: -53.001
Base-Backbone interact. energy: -0.721
local terms energy: -54.403917
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -1.933
tors. eta vs tors. theta energy: -1.448
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: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -99.778588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.778588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.778588 (E_RNA)
where:
Base-Base interactions energy: -42.858
where: short stacking energy: -37.599
Base-Backbone interact. energy: 0.106
local terms energy: -57.026900
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -0.787
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: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -118.950492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.950492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.950492 (E_RNA)
where:
Base-Base interactions energy: -57.111
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.175
local terms energy: -61.664395
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -7.460
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: 331
Temperature: 0.900000
Total energy: -332.602158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.602158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.602158 (E_RNA)
where:
Base-Base interactions energy: -228.140
where: short stacking energy: -101.337
Base-Backbone interact. energy: 0.573
local terms energy: -105.035649
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -24.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -308.208127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.208127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.208127 (E_RNA)
where:
Base-Base interactions energy: -198.518
where: short stacking energy: -81.386
Base-Backbone interact. energy: -0.726
local terms energy: -108.964622
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -26.548
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: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -308.327987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.327987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.327987 (E_RNA)
where:
Base-Base interactions energy: -212.271
where: short stacking energy: -99.487
Base-Backbone interact. energy: -0.238
local terms energy: -95.818369
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -25.385
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: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -249.123042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.123042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.123042 (E_RNA)
where:
Base-Base interactions energy: -155.341
where: short stacking energy: -76.834
Base-Backbone interact. energy: -0.454
local terms energy: -93.328166
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -250.370469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.370469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.370469 (E_RNA)
where:
Base-Base interactions energy: -165.562
where: short stacking energy: -75.965
Base-Backbone interact. energy: -0.243
local terms energy: -84.564785
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -14.217
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: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -202.576318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576318 (E_RNA)
where:
Base-Base interactions energy: -120.610
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.042
local terms energy: -81.923768
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -12.106
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: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -147.315358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.315358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.315358 (E_RNA)
where:
Base-Base interactions energy: -79.475
where: short stacking energy: -42.838
Base-Backbone interact. energy: 0.931
local terms energy: -68.771510
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -131.682895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.682895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.682895 (E_RNA)
where:
Base-Base interactions energy: -62.542
where: short stacking energy: -45.289
Base-Backbone interact. energy: -0.145
local terms energy: -68.996748
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -4.392
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: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -105.935641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.935641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.935641 (E_RNA)
where:
Base-Base interactions energy: -39.945
where: short stacking energy: -39.130
Base-Backbone interact. energy: 0.219
local terms energy: -66.209135
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -100.766713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.766713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.766713 (E_RNA)
where:
Base-Base interactions energy: -31.652
where: short stacking energy: -19.690
Base-Backbone interact. energy: -4.274
local terms energy: -64.840341
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: 0.096
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: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -316.853230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.853230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.853230 (E_RNA)
where:
Base-Base interactions energy: -211.577
where: short stacking energy: -97.250
Base-Backbone interact. energy: -0.085
local terms energy: -105.191447
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -25.944
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: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -315.365588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.365588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.365588 (E_RNA)
where:
Base-Base interactions energy: -211.833
where: short stacking energy: -90.347
Base-Backbone interact. energy: 0.188
local terms energy: -103.720290
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -24.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -311.199947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.199947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.199947 (E_RNA)
where:
Base-Base interactions energy: -209.002
where: short stacking energy: -92.043
Base-Backbone interact. energy: -0.493
local terms energy: -101.704879
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -25.879
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: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -238.046126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.046126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.046126 (E_RNA)
where:
Base-Base interactions energy: -152.010
where: short stacking energy: -69.893
Base-Backbone interact. energy: -0.394
local terms energy: -85.642273
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -15.139
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: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -253.495491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.495491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.495491 (E_RNA)
where:
Base-Base interactions energy: -158.584
where: short stacking energy: -71.149
Base-Backbone interact. energy: 0.904
local terms energy: -95.815447
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -18.395
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: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -160.018217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.018217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.018217 (E_RNA)
where:
Base-Base interactions energy: -86.891
where: short stacking energy: -37.686
Base-Backbone interact. energy: -0.123
local terms energy: -73.004630
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -145.418773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.418773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.418773 (E_RNA)
where:
Base-Base interactions energy: -68.292
where: short stacking energy: -32.326
Base-Backbone interact. energy: 0.073
local terms energy: -77.200185
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -22.431
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -12.253
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: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -121.316486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.316486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.316486 (E_RNA)
where:
Base-Base interactions energy: -52.863
where: short stacking energy: -43.297
Base-Backbone interact. energy: -0.073
local terms energy: -68.380253
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -12.808
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: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -122.318845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.318845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.318845 (E_RNA)
where:
Base-Base interactions energy: -50.872
where: short stacking energy: -48.101
Base-Backbone interact. energy: -0.187
local terms energy: -71.259703
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -92.034238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.034238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.034238 (E_RNA)
where:
Base-Base interactions energy: -42.540
where: short stacking energy: -40.602
Base-Backbone interact. energy: -0.030
local terms energy: -49.463845
where:
bonds (distance) C4'-P energy: -5.257
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: 4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -319.941236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.941236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.941236 (E_RNA)
where:
Base-Base interactions energy: -212.881
where: short stacking energy: -93.127
Base-Backbone interact. energy: -0.440
local terms energy: -106.620405
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -28.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -319.958823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.958823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.958823 (E_RNA)
where:
Base-Base interactions energy: -208.996
where: short stacking energy: -102.498
Base-Backbone interact. energy: -0.117
local terms energy: -110.845407
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -30.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -305.689334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.689334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.689334 (E_RNA)
where:
Base-Base interactions energy: -198.823
where: short stacking energy: -97.015
Base-Backbone interact. energy: -0.242
local terms energy: -106.624305
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -29.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -285.490525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.490525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.490525 (E_RNA)
where:
Base-Base interactions energy: -184.866
where: short stacking energy: -93.920
Base-Backbone interact. energy: -0.460
local terms energy: -100.164546
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -25.066
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: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -247.043325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.043325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.043325 (E_RNA)
where:
Base-Base interactions energy: -165.708
where: short stacking energy: -80.781
Base-Backbone interact. energy: -0.306
local terms energy: -81.028874
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -12.299
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: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -162.234737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.234737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.234737 (E_RNA)
where:
Base-Base interactions energy: -85.014
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.739
local terms energy: -76.482077
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -159.518994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.518994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.518994 (E_RNA)
where:
Base-Base interactions energy: -72.836
where: short stacking energy: -50.881
Base-Backbone interact. energy: -0.413
local terms energy: -86.269680
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -110.321693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.321693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.321693 (E_RNA)
where:
Base-Base interactions energy: -43.247
where: short stacking energy: -39.198
Base-Backbone interact. energy: -0.230
local terms energy: -66.844660
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -111.576982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.576982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.576982 (E_RNA)
where:
Base-Base interactions energy: -39.493
where: short stacking energy: -35.857
Base-Backbone interact. energy: -0.291
local terms energy: -71.793508
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -97.097373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.097373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.097373 (E_RNA)
where:
Base-Base interactions energy: -45.466
where: short stacking energy: -39.278
Base-Backbone interact. energy: -0.349
local terms energy: -51.282248
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -4.755
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -325.262584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.262584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.262584 (E_RNA)
where:
Base-Base interactions energy: -224.515
where: short stacking energy: -92.492
Base-Backbone interact. energy: -0.220
local terms energy: -100.526828
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -24.833
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: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -301.649451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.649451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.649451 (E_RNA)
where:
Base-Base interactions energy: -200.812
where: short stacking energy: -97.920
Base-Backbone interact. energy: -0.049
local terms energy: -100.789374
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -28.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -315.014337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.014337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.014337 (E_RNA)
where:
Base-Base interactions energy: -206.193
where: short stacking energy: -93.699
Base-Backbone interact. energy: -0.685
local terms energy: -108.136009
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -279.515461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.515461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.515461 (E_RNA)
where:
Base-Base interactions energy: -191.375
where: short stacking energy: -72.546
Base-Backbone interact. energy: -0.840
local terms energy: -87.300577
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -232.163680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.163680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.163680 (E_RNA)
where:
Base-Base interactions energy: -140.883
where: short stacking energy: -69.518
Base-Backbone interact. energy: -0.626
local terms energy: -90.655030
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -162.882389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.882389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.882389 (E_RNA)
where:
Base-Base interactions energy: -82.958
where: short stacking energy: -49.269
Base-Backbone interact. energy: -0.266
local terms energy: -79.658290
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -8.963
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: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -160.519617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.519617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.519617 (E_RNA)
where:
Base-Base interactions energy: -91.323
where: short stacking energy: -50.797
Base-Backbone interact. energy: 1.151
local terms energy: -70.348082
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -8.730
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: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -114.303118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.303118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.303118 (E_RNA)
where:
Base-Base interactions energy: -41.338
where: short stacking energy: -41.338
Base-Backbone interact. energy: -1.205
local terms energy: -71.760378
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -114.792729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.792729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.792729 (E_RNA)
where:
Base-Base interactions energy: -42.698
where: short stacking energy: -38.068
Base-Backbone interact. energy: -0.041
local terms energy: -72.053765
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -110.218479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.218479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.218479 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -42.536
Base-Backbone interact. energy: -0.644
local terms energy: -66.590207
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -333.808156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.808156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.808156 (E_RNA)
where:
Base-Base interactions energy: -219.212
where: short stacking energy: -92.523
Base-Backbone interact. energy: -0.583
local terms energy: -114.012898
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -28.254
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: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -313.565313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.565313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.565313 (E_RNA)
where:
Base-Base interactions energy: -202.319
where: short stacking energy: -96.878
Base-Backbone interact. energy: -0.028
local terms energy: -111.218182
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -26.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -318.499645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.499645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.499645 (E_RNA)
where:
Base-Base interactions energy: -220.959
where: short stacking energy: -95.372
Base-Backbone interact. energy: -0.395
local terms energy: -97.145545
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -253.058034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.058034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.058034 (E_RNA)
where:
Base-Base interactions energy: -159.369
where: short stacking energy: -80.494
Base-Backbone interact. energy: -0.589
local terms energy: -93.099402
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -275.082748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.082748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.082748 (E_RNA)
where:
Base-Base interactions energy: -177.668
where: short stacking energy: -82.548
Base-Backbone interact. energy: 0.913
local terms energy: -98.327566
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -20.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -149.276273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.276273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.276273 (E_RNA)
where:
Base-Base interactions energy: -74.658
where: short stacking energy: -52.665
Base-Backbone interact. energy: -0.174
local terms energy: -74.443689
where:
bonds (distance) C4'-P energy: -20.135
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -119.207735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.207735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.207735 (E_RNA)
where:
Base-Base interactions energy: -51.582
where: short stacking energy: -43.972
Base-Backbone interact. energy: -0.086
local terms energy: -67.540583
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -112.673271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.673271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.673271 (E_RNA)
where:
Base-Base interactions energy: -45.184
where: short stacking energy: -39.807
Base-Backbone interact. energy: -0.449
local terms energy: -67.039879
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -9.900
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: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -119.290748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.290748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.290748 (E_RNA)
where:
Base-Base interactions energy: -55.019
where: short stacking energy: -21.275
Base-Backbone interact. energy: -0.193
local terms energy: -64.079030
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -109.117834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.117834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.117834 (E_RNA)
where:
Base-Base interactions energy: -46.842
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.316
local terms energy: -61.959467
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: 1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -325.935271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.935271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.935271 (E_RNA)
where:
Base-Base interactions energy: -220.577
where: short stacking energy: -97.377
Base-Backbone interact. energy: -0.049
local terms energy: -105.309002
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -24.164
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: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -307.447937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.447937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.447937 (E_RNA)
where:
Base-Base interactions energy: -197.519
where: short stacking energy: -89.380
Base-Backbone interact. energy: -0.551
local terms energy: -109.377962
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -310.901773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.901773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.901773 (E_RNA)
where:
Base-Base interactions energy: -201.522
where: short stacking energy: -94.839
Base-Backbone interact. energy: -0.179
local terms energy: -109.201326
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -32.927
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: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -244.792488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.792488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.792488 (E_RNA)
where:
Base-Base interactions energy: -144.517
where: short stacking energy: -77.633
Base-Backbone interact. energy: 1.886
local terms energy: -102.161915
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -277.593816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.593816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.593816 (E_RNA)
where:
Base-Base interactions energy: -183.838
where: short stacking energy: -78.678
Base-Backbone interact. energy: -1.132
local terms energy: -92.623866
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -120.958223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.958223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.958223 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -50.545
Base-Backbone interact. energy: -0.252
local terms energy: -70.161144
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -118.732505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.732505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.732505 (E_RNA)
where:
Base-Base interactions energy: -52.373
where: short stacking energy: -50.833
Base-Backbone interact. energy: -0.137
local terms energy: -66.222364
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -10.776
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: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -111.178503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.178503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.178503 (E_RNA)
where:
Base-Base interactions energy: -34.416
where: short stacking energy: -34.416
Base-Backbone interact. energy: -0.295
local terms energy: -76.467639
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -13.024
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: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -124.589406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.589406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.589406 (E_RNA)
where:
Base-Base interactions energy: -56.563
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.598
local terms energy: -67.428200
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -2.419
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: 336
Temperature: 1.350000
Total energy: -105.627962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.627962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.627962 (E_RNA)
where:
Base-Base interactions energy: -34.761
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.064
local terms energy: -70.803629
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -329.367540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.367540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.367540 (E_RNA)
where:
Base-Base interactions energy: -227.962
where: short stacking energy: -97.205
Base-Backbone interact. energy: 0.891
local terms energy: -102.297050
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -25.289
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: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -311.399501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.399501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.399501 (E_RNA)
where:
Base-Base interactions energy: -202.647
where: short stacking energy: -90.939
Base-Backbone interact. energy: 0.643
local terms energy: -109.395431
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -29.603
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: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -297.954227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.954227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.954227 (E_RNA)
where:
Base-Base interactions energy: -200.002
where: short stacking energy: -98.266
Base-Backbone interact. energy: -0.465
local terms energy: -97.487444
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -28.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -292.589908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.589908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.589908 (E_RNA)
where:
Base-Base interactions energy: -198.170
where: short stacking energy: -85.394
Base-Backbone interact. energy: 0.744
local terms energy: -95.164556
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -244.281725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.281725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.281725 (E_RNA)
where:
Base-Base interactions energy: -152.502
where: short stacking energy: -77.665
Base-Backbone interact. energy: -0.537
local terms energy: -91.242768
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -10.722
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: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -141.315176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.315176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.315176 (E_RNA)
where:
Base-Base interactions energy: -72.840
where: short stacking energy: -49.747
Base-Backbone interact. energy: -0.800
local terms energy: -67.674640
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -9.268
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: 337
Temperature: 1.200000
Total energy: -147.728160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.728160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.728160 (E_RNA)
where:
Base-Base interactions energy: -83.974
where: short stacking energy: -41.505
Base-Backbone interact. energy: -0.238
local terms energy: -63.515666
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: 0.055
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: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -152.079044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.079044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.079044 (E_RNA)
where:
Base-Base interactions energy: -83.964
where: short stacking energy: -55.634
Base-Backbone interact. energy: -0.961
local terms energy: -67.154587
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -11.857
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: 337
Temperature: 1.300000
Total energy: -117.314683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.314683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.314683 (E_RNA)
where:
Base-Base interactions energy: -47.442
where: short stacking energy: -47.442
Base-Backbone interact. energy: 0.949
local terms energy: -70.821455
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -110.201150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.201150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.201150 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -36.255
Base-Backbone interact. energy: -1.648
local terms energy: -67.405361
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -321.886254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.886254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.886254 (E_RNA)
where:
Base-Base interactions energy: -218.589
where: short stacking energy: -90.742
Base-Backbone interact. energy: -0.322
local terms energy: -102.974721
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -21.519
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: 338
Temperature: 0.950000
Total energy: -301.625224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.625224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.625224 (E_RNA)
where:
Base-Base interactions energy: -197.155
where: short stacking energy: -100.522
Base-Backbone interact. energy: -0.365
local terms energy: -104.106014
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -28.022
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: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -295.354665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.354665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.354665 (E_RNA)
where:
Base-Base interactions energy: -202.826
where: short stacking energy: -83.415
Base-Backbone interact. energy: -0.716
local terms energy: -91.812317
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -23.547
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -286.810894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.810894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.810894 (E_RNA)
where:
Base-Base interactions energy: -184.787
where: short stacking energy: -78.565
Base-Backbone interact. energy: 0.349
local terms energy: -102.372103
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -26.616
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: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -236.945657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.945657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.945657 (E_RNA)
where:
Base-Base interactions energy: -144.718
where: short stacking energy: -68.103
Base-Backbone interact. energy: -1.126
local terms energy: -91.101952
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -138.588310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.588310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.588310 (E_RNA)
where:
Base-Base interactions energy: -57.838
where: short stacking energy: -57.838
Base-Backbone interact. energy: -0.166
local terms energy: -80.583647
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -11.300
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: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -120.862258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.862258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.862258 (E_RNA)
where:
Base-Base interactions energy: -41.546
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.155
local terms energy: -79.161175
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -126.818253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.818253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.818253 (E_RNA)
where:
Base-Base interactions energy: -57.036
where: short stacking energy: -57.036
Base-Backbone interact. energy: -0.167
local terms energy: -69.614659
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -6.030
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: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -100.428438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.428438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.428438 (E_RNA)
where:
Base-Base interactions energy: -40.343
where: short stacking energy: -40.343
Base-Backbone interact. energy: 3.624
local terms energy: -63.709137
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.540
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: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -110.204757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.204757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.204757 (E_RNA)
where:
Base-Base interactions energy: -44.226
where: short stacking energy: -27.753
Base-Backbone interact. energy: 0.757
local terms energy: -66.736187
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -315.017428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.017428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.017428 (E_RNA)
where:
Base-Base interactions energy: -212.760
where: short stacking energy: -85.657
Base-Backbone interact. energy: -0.472
local terms energy: -101.784685
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -296.394455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.394455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.394455 (E_RNA)
where:
Base-Base interactions energy: -209.670
where: short stacking energy: -84.130
Base-Backbone interact. energy: -0.876
local terms energy: -85.848431
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -24.099
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -18.710
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: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -307.608514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.608514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.608514 (E_RNA)
where:
Base-Base interactions energy: -213.554
where: short stacking energy: -94.906
Base-Backbone interact. energy: -0.122
local terms energy: -93.932095
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -283.860216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.860216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.860216 (E_RNA)
where:
Base-Base interactions energy: -184.644
where: short stacking energy: -87.634
Base-Backbone interact. energy: -0.074
local terms energy: -99.141784
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -26.117
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: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -228.925519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.925519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.925519 (E_RNA)
where:
Base-Base interactions energy: -149.002
where: short stacking energy: -67.279
Base-Backbone interact. energy: -0.272
local terms energy: -79.651732
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -10.151
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: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -119.270335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.270335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.270335 (E_RNA)
where:
Base-Base interactions energy: -40.229
where: short stacking energy: -34.897
Base-Backbone interact. energy: -0.233
local terms energy: -78.809192
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -4.679
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: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -135.426734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.426734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.426734 (E_RNA)
where:
Base-Base interactions energy: -69.095
where: short stacking energy: -46.183
Base-Backbone interact. energy: 0.071
local terms energy: -66.403122
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -7.073
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: 339
Temperature: 1.250000
Total energy: -112.556213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.556213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.556213 (E_RNA)
where:
Base-Base interactions energy: -52.663
where: short stacking energy: -37.641
Base-Backbone interact. energy: 0.354
local terms energy: -60.247924
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -113.544969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.544969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.544969 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.202
local terms energy: -77.433696
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -105.034611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.034611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.034611 (E_RNA)
where:
Base-Base interactions energy: -46.745
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.500
local terms energy: -57.790110
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: 2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -311.624824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.624824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.624824 (E_RNA)
where:
Base-Base interactions energy: -208.705
where: short stacking energy: -83.257
Base-Backbone interact. energy: -0.894
local terms energy: -102.025661
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -299.741210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.741210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.741210 (E_RNA)
where:
Base-Base interactions energy: -202.896
where: short stacking energy: -90.462
Base-Backbone interact. energy: -1.374
local terms energy: -95.470795
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -23.317
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: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -307.278671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.278671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.278671 (E_RNA)
where:
Base-Base interactions energy: -206.043
where: short stacking energy: -95.681
Base-Backbone interact. energy: -0.292
local terms energy: -100.943753
where:
bonds (distance) C4'-P energy: -22.785
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -20.358
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: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -285.238296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.238296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.238296 (E_RNA)
where:
Base-Base interactions energy: -187.245
where: short stacking energy: -92.043
Base-Backbone interact. energy: -0.625
local terms energy: -97.368795
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -13.261
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: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -219.826614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.826614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.826614 (E_RNA)
where:
Base-Base interactions energy: -135.274
where: short stacking energy: -62.279
Base-Backbone interact. energy: -0.237
local terms energy: -84.315574
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -134.368910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.368910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.368910 (E_RNA)
where:
Base-Base interactions energy: -65.680
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.225
local terms energy: -68.464317
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -9.849
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: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -121.974933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.974933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.974933 (E_RNA)
where:
Base-Base interactions energy: -50.849
where: short stacking energy: -50.849
Base-Backbone interact. energy: -0.123
local terms energy: -71.003039
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -9.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -119.315918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.315918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.315918 (E_RNA)
where:
Base-Base interactions energy: -53.201
where: short stacking energy: -44.937
Base-Backbone interact. energy: 0.464
local terms energy: -66.579276
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -131.311895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.311895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.311895 (E_RNA)
where:
Base-Base interactions energy: -70.590
where: short stacking energy: -51.098
Base-Backbone interact. energy: -1.584
local terms energy: -59.137618
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -107.053513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.053513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.053513 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -36.167
Base-Backbone interact. energy: -0.259
local terms energy: -70.771316
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -308.925133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.925133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.925133 (E_RNA)
where:
Base-Base interactions energy: -208.389
where: short stacking energy: -93.575
Base-Backbone interact. energy: -1.239
local terms energy: -99.297606
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -23.902
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: 341
Temperature: 0.950000
Total energy: -306.708820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.708820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.708820 (E_RNA)
where:
Base-Base interactions energy: -202.268
where: short stacking energy: -97.193
Base-Backbone interact. energy: -0.223
local terms energy: -104.217552
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -26.310
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: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -303.943709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.943709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.943709 (E_RNA)
where:
Base-Base interactions energy: -207.320
where: short stacking energy: -83.131
Base-Backbone interact. energy: -0.491
local terms energy: -96.132200
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -20.699
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: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -273.436522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.436522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.436522 (E_RNA)
where:
Base-Base interactions energy: -172.563
where: short stacking energy: -80.375
Base-Backbone interact. energy: 1.675
local terms energy: -102.549189
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -215.915985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.915985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.915985 (E_RNA)
where:
Base-Base interactions energy: -137.130
where: short stacking energy: -71.079
Base-Backbone interact. energy: -0.085
local terms energy: -78.700449
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -151.271128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.271128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.271128 (E_RNA)
where:
Base-Base interactions energy: -67.144
where: short stacking energy: -56.321
Base-Backbone interact. energy: -0.025
local terms energy: -84.102079
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -110.661494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.661494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.661494 (E_RNA)
where:
Base-Base interactions energy: -55.798
where: short stacking energy: -38.805
Base-Backbone interact. energy: 1.233
local terms energy: -56.096661
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.284
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: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -112.963014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.963014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.963014 (E_RNA)
where:
Base-Base interactions energy: -44.181
where: short stacking energy: -41.053
Base-Backbone interact. energy: -0.198
local terms energy: -68.584615
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -2.728
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: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -118.267193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.267193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.267193 (E_RNA)
where:
Base-Base interactions energy: -47.049
where: short stacking energy: -41.701
Base-Backbone interact. energy: -0.314
local terms energy: -70.904594
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -11.671
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: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -98.561999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.561999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.561999 (E_RNA)
where:
Base-Base interactions energy: -37.502
where: short stacking energy: -36.939
Base-Backbone interact. energy: -0.694
local terms energy: -60.366829
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -320.339079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.339079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.339079 (E_RNA)
where:
Base-Base interactions energy: -213.487
where: short stacking energy: -96.186
Base-Backbone interact. energy: -0.219
local terms energy: -106.632656
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -27.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -309.694362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.694362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.694362 (E_RNA)
where:
Base-Base interactions energy: -216.034
where: short stacking energy: -93.536
Base-Backbone interact. energy: -0.549
local terms energy: -93.110809
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -293.743264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.743264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.743264 (E_RNA)
where:
Base-Base interactions energy: -202.812
where: short stacking energy: -90.504
Base-Backbone interact. energy: -1.149
local terms energy: -89.782611
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -269.562562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.562562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.562562 (E_RNA)
where:
Base-Base interactions energy: -174.367
where: short stacking energy: -78.447
Base-Backbone interact. energy: -0.357
local terms energy: -94.838389
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -20.762
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: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -229.171347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.171347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.171347 (E_RNA)
where:
Base-Base interactions energy: -145.536
where: short stacking energy: -64.554
Base-Backbone interact. energy: 0.111
local terms energy: -83.746289
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -138.434124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.434124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.434124 (E_RNA)
where:
Base-Base interactions energy: -53.609
where: short stacking energy: -52.342
Base-Backbone interact. energy: -0.243
local terms energy: -84.582620
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -10.292
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: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -119.071927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.071927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.071927 (E_RNA)
where:
Base-Base interactions energy: -57.662
where: short stacking energy: -46.463
Base-Backbone interact. energy: -0.225
local terms energy: -61.184541
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -7.604
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -122.005986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.005986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.005986 (E_RNA)
where:
Base-Base interactions energy: -53.767
where: short stacking energy: -32.604
Base-Backbone interact. energy: -0.751
local terms energy: -67.487801
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -108.050399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.050399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.050399 (E_RNA)
where:
Base-Base interactions energy: -57.059
where: short stacking energy: -50.960
Base-Backbone interact. energy: -0.368
local terms energy: -50.623300
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -1.486
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: 342
Temperature: 1.350000
Total energy: -102.155285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.155285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.155285 (E_RNA)
where:
Base-Base interactions energy: -36.175
where: short stacking energy: -36.359
Base-Backbone interact. energy: 1.082
local terms energy: -67.061724
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -329.077078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.077078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.077078 (E_RNA)
where:
Base-Base interactions energy: -213.969
where: short stacking energy: -90.969
Base-Backbone interact. energy: -1.092
local terms energy: -114.015764
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -327.124666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.124666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.124666 (E_RNA)
where:
Base-Base interactions energy: -224.655
where: short stacking energy: -94.089
Base-Backbone interact. energy: 0.384
local terms energy: -102.853807
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -25.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -297.712831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.712831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.712831 (E_RNA)
where:
Base-Base interactions energy: -200.426
where: short stacking energy: -79.570
Base-Backbone interact. energy: -0.865
local terms energy: -96.421604
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -16.038
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: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -247.987518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.987518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.987518 (E_RNA)
where:
Base-Base interactions energy: -163.525
where: short stacking energy: -72.306
Base-Backbone interact. energy: -1.172
local terms energy: -83.289658
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -14.023
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: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -263.200386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.200386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.200386 (E_RNA)
where:
Base-Base interactions energy: -163.267
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.423
local terms energy: -99.510157
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -122.790187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.790187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.790187 (E_RNA)
where:
Base-Base interactions energy: -55.559
where: short stacking energy: -42.720
Base-Backbone interact. energy: -0.063
local terms energy: -67.168486
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -2.301
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: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -127.488885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.488885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.488885 (E_RNA)
where:
Base-Base interactions energy: -54.212
where: short stacking energy: -48.629
Base-Backbone interact. energy: -1.296
local terms energy: -71.981306
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -110.870938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.870938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.870938 (E_RNA)
where:
Base-Base interactions energy: -52.554
where: short stacking energy: -47.369
Base-Backbone interact. energy: -0.379
local terms energy: -57.937975
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -106.717275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.717275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.717275 (E_RNA)
where:
Base-Base interactions energy: -36.457
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.595
local terms energy: -69.665409
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: 1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -98.319332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.319332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.319332 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -27.450
Base-Backbone interact. energy: -0.263
local terms energy: -62.931999
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: 0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -325.355291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.355291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.355291 (E_RNA)
where:
Base-Base interactions energy: -213.818
where: short stacking energy: -98.254
Base-Backbone interact. energy: -1.370
local terms energy: -110.166985
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -24.190
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -28.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -323.986405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.986405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.986405 (E_RNA)
where:
Base-Base interactions energy: -226.939
where: short stacking energy: -93.002
Base-Backbone interact. energy: -0.823
local terms energy: -96.224211
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -25.442
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: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -303.356606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.356606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.356606 (E_RNA)
where:
Base-Base interactions energy: -202.777
where: short stacking energy: -92.294
Base-Backbone interact. energy: 0.911
local terms energy: -101.490481
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -28.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -249.346305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.346305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.346305 (E_RNA)
where:
Base-Base interactions energy: -159.295
where: short stacking energy: -69.173
Base-Backbone interact. energy: -0.051
local terms energy: -90.000013
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -23.287
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -242.351992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.351992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.351992 (E_RNA)
where:
Base-Base interactions energy: -141.904
where: short stacking energy: -74.412
Base-Backbone interact. energy: -0.698
local terms energy: -99.749964
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -133.618861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.618861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.618861 (E_RNA)
where:
Base-Base interactions energy: -52.135
where: short stacking energy: -44.576
Base-Backbone interact. energy: -1.828
local terms energy: -79.655903
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -116.216083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.216083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.216083 (E_RNA)
where:
Base-Base interactions energy: -39.926
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.234
local terms energy: -76.055906
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -121.819854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.819854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.819854 (E_RNA)
where:
Base-Base interactions energy: -50.930
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.267
local terms energy: -70.622339
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -1.200
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: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -123.513949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.513949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.513949 (E_RNA)
where:
Base-Base interactions energy: -51.783
where: short stacking energy: -47.939
Base-Backbone interact. energy: -0.269
local terms energy: -71.461769
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -106.250565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.250565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.250565 (E_RNA)
where:
Base-Base interactions energy: -33.155
where: short stacking energy: -32.668
Base-Backbone interact. energy: -0.157
local terms energy: -72.937630
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -323.003274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.003274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.003274 (E_RNA)
where:
Base-Base interactions energy: -209.912
where: short stacking energy: -97.886
Base-Backbone interact. energy: -0.887
local terms energy: -112.203357
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -24.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -303.010064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.010064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.010064 (E_RNA)
where:
Base-Base interactions energy: -202.234
where: short stacking energy: -85.750
Base-Backbone interact. energy: -0.551
local terms energy: -100.224910
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -25.947
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -311.719978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.719978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.719978 (E_RNA)
where:
Base-Base interactions energy: -208.644
where: short stacking energy: -97.570
Base-Backbone interact. energy: -0.462
local terms energy: -102.613288
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -28.957
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -258.589873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.589873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.589873 (E_RNA)
where:
Base-Base interactions energy: -174.857
where: short stacking energy: -86.925
Base-Backbone interact. energy: 0.275
local terms energy: -84.008178
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -232.993203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.993203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.993203 (E_RNA)
where:
Base-Base interactions energy: -143.702
where: short stacking energy: -70.719
Base-Backbone interact. energy: -0.100
local terms energy: -89.190842
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -18.316
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: 345
Temperature: 1.150000
Total energy: -126.815119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.815119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.815119 (E_RNA)
where:
Base-Base interactions energy: -43.824
where: short stacking energy: -43.824
Base-Backbone interact. energy: 0.744
local terms energy: -83.735140
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -139.058899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.058899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.058899 (E_RNA)
where:
Base-Base interactions energy: -67.864
where: short stacking energy: -50.340
Base-Backbone interact. energy: -0.506
local terms energy: -70.689333
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -10.703
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: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -124.795905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.795905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.795905 (E_RNA)
where:
Base-Base interactions energy: -52.357
where: short stacking energy: -45.800
Base-Backbone interact. energy: -0.785
local terms energy: -71.654154
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -112.734598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.734598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.734598 (E_RNA)
where:
Base-Base interactions energy: -46.970
where: short stacking energy: -42.721
Base-Backbone interact. energy: -0.158
local terms energy: -65.606431
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -9.844
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: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -101.914630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.914630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.914630 (E_RNA)
where:
Base-Base interactions energy: -31.924
where: short stacking energy: -29.070
Base-Backbone interact. energy: -0.087
local terms energy: -69.903945
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -0.512
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: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -321.413939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.413939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.413939 (E_RNA)
where:
Base-Base interactions energy: -218.083
where: short stacking energy: -91.812
Base-Backbone interact. energy: -0.201
local terms energy: -103.130261
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -27.402
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: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -303.835376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.835376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.835376 (E_RNA)
where:
Base-Base interactions energy: -205.979
where: short stacking energy: -88.866
Base-Backbone interact. energy: -0.772
local terms energy: -97.083907
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -24.490
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: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -316.724042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.724042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.724042 (E_RNA)
where:
Base-Base interactions energy: -215.627
where: short stacking energy: -100.708
Base-Backbone interact. energy: -0.325
local terms energy: -100.772701
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -262.191621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.191621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.191621 (E_RNA)
where:
Base-Base interactions energy: -162.430
where: short stacking energy: -88.403
Base-Backbone interact. energy: -0.358
local terms energy: -99.404067
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -19.397
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: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -244.389780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.389780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.389780 (E_RNA)
where:
Base-Base interactions energy: -160.019
where: short stacking energy: -75.884
Base-Backbone interact. energy: -0.084
local terms energy: -84.286238
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -18.397
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: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -125.141982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.141982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.141982 (E_RNA)
where:
Base-Base interactions energy: -54.628
where: short stacking energy: -47.679
Base-Backbone interact. energy: -0.409
local terms energy: -70.104437
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -12.586
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: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -112.584879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.584879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.584879 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -31.180
Base-Backbone interact. energy: -0.322
local terms energy: -62.953460
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -133.589315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.589315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.589315 (E_RNA)
where:
Base-Base interactions energy: -63.340
where: short stacking energy: -44.585
Base-Backbone interact. energy: -0.463
local terms energy: -69.786600
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -111.229888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.229888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.229888 (E_RNA)
where:
Base-Base interactions energy: -40.062
where: short stacking energy: -33.599
Base-Backbone interact. energy: -0.666
local terms energy: -70.502243
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -100.280739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.280739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.280739 (E_RNA)
where:
Base-Base interactions energy: -50.129
where: short stacking energy: -42.994
Base-Backbone interact. energy: -0.156
local terms energy: -49.995538
where:
bonds (distance) C4'-P energy: -6.910
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -327.706928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.706928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.706928 (E_RNA)
where:
Base-Base interactions energy: -229.444
where: short stacking energy: -93.718
Base-Backbone interact. energy: -0.360
local terms energy: -97.902719
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -27.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -305.646375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.646375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.646375 (E_RNA)
where:
Base-Base interactions energy: -204.738
where: short stacking energy: -84.564
Base-Backbone interact. energy: 0.130
local terms energy: -101.037660
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -23.061
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: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -321.142185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.142185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.142185 (E_RNA)
where:
Base-Base interactions energy: -221.290
where: short stacking energy: -86.256
Base-Backbone interact. energy: 0.469
local terms energy: -100.321181
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -257.444132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.444132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.444132 (E_RNA)
where:
Base-Base interactions energy: -158.479
where: short stacking energy: -84.819
Base-Backbone interact. energy: -0.134
local terms energy: -98.831303
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -26.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -234.746168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.746168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.746168 (E_RNA)
where:
Base-Base interactions energy: -153.287
where: short stacking energy: -72.272
Base-Backbone interact. energy: -0.833
local terms energy: -80.625580
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -144.996245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.996245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.996245 (E_RNA)
where:
Base-Base interactions energy: -68.631
where: short stacking energy: -50.930
Base-Backbone interact. energy: -1.502
local terms energy: -74.863540
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -11.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -121.408879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.408879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.408879 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -45.595
Base-Backbone interact. energy: -0.453
local terms energy: -67.360380
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -121.754107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.754107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.754107 (E_RNA)
where:
Base-Base interactions energy: -57.234
where: short stacking energy: -48.099
Base-Backbone interact. energy: -0.581
local terms energy: -63.939579
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -117.620348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.620348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.620348 (E_RNA)
where:
Base-Base interactions energy: -51.505
where: short stacking energy: -47.380
Base-Backbone interact. energy: -0.172
local terms energy: -65.944023
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -99.778833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.778833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.778833 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -43.928
Base-Backbone interact. energy: -1.168
local terms energy: -55.777539
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -0.002
tors. eta vs tors. theta energy: 0.134
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: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -332.136872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.136872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.136872 (E_RNA)
where:
Base-Base interactions energy: -223.213
where: short stacking energy: -91.167
Base-Backbone interact. energy: 0.119
local terms energy: -109.042721
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -26.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -289.066122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.066122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.066122 (E_RNA)
where:
Base-Base interactions energy: -181.947
where: short stacking energy: -80.856
Base-Backbone interact. energy: -2.079
local terms energy: -105.040276
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -309.731580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.731580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.731580 (E_RNA)
where:
Base-Base interactions energy: -208.430
where: short stacking energy: -101.400
Base-Backbone interact. energy: -0.897
local terms energy: -100.405319
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -23.369
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: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -245.437887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.437887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.437887 (E_RNA)
where:
Base-Base interactions energy: -152.895
where: short stacking energy: -76.456
Base-Backbone interact. energy: -0.355
local terms energy: -92.187777
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -260.110301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.110301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.110301 (E_RNA)
where:
Base-Base interactions energy: -168.013
where: short stacking energy: -67.950
Base-Backbone interact. energy: -1.037
local terms energy: -91.060523
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -13.215
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: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -151.608893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.608893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.608893 (E_RNA)
where:
Base-Base interactions energy: -71.675
where: short stacking energy: -54.926
Base-Backbone interact. energy: 0.867
local terms energy: -80.801694
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -120.096091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.096091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.096091 (E_RNA)
where:
Base-Base interactions energy: -45.823
where: short stacking energy: -36.845
Base-Backbone interact. energy: -0.245
local terms energy: -74.028374
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -126.126145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.126145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.126145 (E_RNA)
where:
Base-Base interactions energy: -49.973
where: short stacking energy: -49.256
Base-Backbone interact. energy: 0.071
local terms energy: -76.224632
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -105.776498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.776498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.776498 (E_RNA)
where:
Base-Base interactions energy: -38.013
where: short stacking energy: -38.013
Base-Backbone interact. energy: -0.059
local terms energy: -67.704179
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -99.629922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.629922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.629922 (E_RNA)
where:
Base-Base interactions energy: -34.304
where: short stacking energy: -34.304
Base-Backbone interact. energy: -0.038
local terms energy: -65.287975
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -330.509736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.509736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.509736 (E_RNA)
where:
Base-Base interactions energy: -225.165
where: short stacking energy: -90.902
Base-Backbone interact. energy: -1.351
local terms energy: -103.993358
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -26.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -321.239693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.239693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.239693 (E_RNA)
where:
Base-Base interactions energy: -218.752
where: short stacking energy: -96.169
Base-Backbone interact. energy: -0.427
local terms energy: -102.059942
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -25.176
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: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -283.765962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.765962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.765962 (E_RNA)
where:
Base-Base interactions energy: -192.485
where: short stacking energy: -78.318
Base-Backbone interact. energy: -0.586
local terms energy: -90.695028
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -257.362420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.362420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.362420 (E_RNA)
where:
Base-Base interactions energy: -159.562
where: short stacking energy: -85.381
Base-Backbone interact. energy: -0.500
local terms energy: -97.300255
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -274.537145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.537145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.537145 (E_RNA)
where:
Base-Base interactions energy: -178.462
where: short stacking energy: -74.377
Base-Backbone interact. energy: -0.100
local terms energy: -95.975132
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -129.856236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.856236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.856236 (E_RNA)
where:
Base-Base interactions energy: -49.225
where: short stacking energy: -41.372
Base-Backbone interact. energy: -0.279
local terms energy: -80.352893
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -132.203014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.203014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.203014 (E_RNA)
where:
Base-Base interactions energy: -60.132
where: short stacking energy: -42.677
Base-Backbone interact. energy: -1.057
local terms energy: -71.013610
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -132.218285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.218285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.218285 (E_RNA)
where:
Base-Base interactions energy: -58.438
where: short stacking energy: -21.547
Base-Backbone interact. energy: -1.186
local terms energy: -72.594584
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: 2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -125.146169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.146169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.146169 (E_RNA)
where:
Base-Base interactions energy: -52.169
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.133
local terms energy: -72.844240
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -4.610
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: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -101.421557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.421557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.421557 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -33.516
Base-Backbone interact. energy: -1.058
local terms energy: -64.537397
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -6.507
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: 350
Temperature: 0.900000
Total energy: -330.084520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.084520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.084520 (E_RNA)
where:
Base-Base interactions energy: -221.980
where: short stacking energy: -100.695
Base-Backbone interact. energy: -0.644
local terms energy: -107.460312
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -28.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -324.904895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.904895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.904895 (E_RNA)
where:
Base-Base interactions energy: -214.387
where: short stacking energy: -104.644
Base-Backbone interact. energy: -0.302
local terms energy: -110.215471
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -300.528473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.528473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.528473 (E_RNA)
where:
Base-Base interactions energy: -197.598
where: short stacking energy: -85.532
Base-Backbone interact. energy: -0.569
local terms energy: -102.360622
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -26.606
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: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -260.075770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.075770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.075770 (E_RNA)
where:
Base-Base interactions energy: -165.206
where: short stacking energy: -90.393
Base-Backbone interact. energy: -0.246
local terms energy: -94.623313
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -277.913749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.913749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.913749 (E_RNA)
where:
Base-Base interactions energy: -191.625
where: short stacking energy: -87.182
Base-Backbone interact. energy: -0.136
local terms energy: -86.152375
where:
bonds (distance) C4'-P energy: -5.625
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -22.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -150.609606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.609606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.609606 (E_RNA)
where:
Base-Base interactions energy: -85.950
where: short stacking energy: -54.083
Base-Backbone interact. energy: -0.066
local terms energy: -64.594067
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -7.951
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -11.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -171.563593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.563593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.563593 (E_RNA)
where:
Base-Base interactions energy: -90.258
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.517
local terms energy: -80.788335
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -140.836943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.836943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.836943 (E_RNA)
where:
Base-Base interactions energy: -60.039
where: short stacking energy: -49.433
Base-Backbone interact. energy: -0.148
local terms energy: -80.650211
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -110.507169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.507169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.507169 (E_RNA)
where:
Base-Base interactions energy: -40.487
where: short stacking energy: -34.405
Base-Backbone interact. energy: 0.044
local terms energy: -70.064020
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -91.549309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.549309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.549309 (E_RNA)
where:
Base-Base interactions energy: -29.652
where: short stacking energy: -29.652
Base-Backbone interact. energy: 0.547
local terms energy: -62.444166
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -4.632
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: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -323.284332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.284332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.284332 (E_RNA)
where:
Base-Base interactions energy: -214.369
where: short stacking energy: -86.657
Base-Backbone interact. energy: -0.796
local terms energy: -108.119397
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -27.302
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: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -306.782460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.782460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.782460 (E_RNA)
where:
Base-Base interactions energy: -204.337
where: short stacking energy: -92.088
Base-Backbone interact. energy: 0.550
local terms energy: -102.994852
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -27.972
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: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -299.268808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.268808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.268808 (E_RNA)
where:
Base-Base interactions energy: -206.128
where: short stacking energy: -91.543
Base-Backbone interact. energy: -0.830
local terms energy: -92.311119
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -25.420
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: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -311.137767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.137767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.137767 (E_RNA)
where:
Base-Base interactions energy: -204.768
where: short stacking energy: -94.740
Base-Backbone interact. energy: -0.485
local terms energy: -105.884632
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -29.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -246.645201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.645201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.645201 (E_RNA)
where:
Base-Base interactions energy: -148.641
where: short stacking energy: -70.824
Base-Backbone interact. energy: -0.825
local terms energy: -97.178866
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -172.713358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.713358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.713358 (E_RNA)
where:
Base-Base interactions energy: -88.361
where: short stacking energy: -45.341
Base-Backbone interact. energy: -0.081
local terms energy: -84.271445
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -167.578860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.578860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.578860 (E_RNA)
where:
Base-Base interactions energy: -85.823
where: short stacking energy: -61.768
Base-Backbone interact. energy: -0.150
local terms energy: -81.606398
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -116.865285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.865285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.865285 (E_RNA)
where:
Base-Base interactions energy: -50.248
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.207
local terms energy: -66.410289
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -123.535908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.535908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.535908 (E_RNA)
where:
Base-Base interactions energy: -56.827
where: short stacking energy: -46.551
Base-Backbone interact. energy: -1.067
local terms energy: -65.641774
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -114.286680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.286680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.286680 (E_RNA)
where:
Base-Base interactions energy: -44.330
where: short stacking energy: -38.397
Base-Backbone interact. energy: -0.950
local terms energy: -69.007231
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -3.304
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: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -321.658264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.658264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.658264 (E_RNA)
where:
Base-Base interactions energy: -215.266
where: short stacking energy: -97.023
Base-Backbone interact. energy: -0.158
local terms energy: -106.234632
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -28.039
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: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -305.948462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.948462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.948462 (E_RNA)
where:
Base-Base interactions energy: -208.633
where: short stacking energy: -98.234
Base-Backbone interact. energy: -0.099
local terms energy: -97.216944
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -22.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -301.091069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.091069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.091069 (E_RNA)
where:
Base-Base interactions energy: -194.116
where: short stacking energy: -80.704
Base-Backbone interact. energy: -0.516
local terms energy: -106.458647
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -308.483960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.483960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.483960 (E_RNA)
where:
Base-Base interactions energy: -203.342
where: short stacking energy: -89.223
Base-Backbone interact. energy: -0.253
local terms energy: -104.888331
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -27.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -236.582793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.582793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.582793 (E_RNA)
where:
Base-Base interactions energy: -150.892
where: short stacking energy: -73.618
Base-Backbone interact. energy: 4.082
local terms energy: -89.773191
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -181.342035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.342035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.342035 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -48.232
Base-Backbone interact. energy: -0.737
local terms energy: -69.505849
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -133.977019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.977019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.977019 (E_RNA)
where:
Base-Base interactions energy: -52.904
where: short stacking energy: -44.630
Base-Backbone interact. energy: -0.129
local terms energy: -80.943622
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -189.049942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.049942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.049942 (E_RNA)
where:
Base-Base interactions energy: -103.081
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.034
local terms energy: -85.935239
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -17.782
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: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -101.582744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.582744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.582744 (E_RNA)
where:
Base-Base interactions energy: -43.326
where: short stacking energy: -42.951
Base-Backbone interact. energy: -0.138
local terms energy: -58.119290
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: 4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -96.341304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.341304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.341304 (E_RNA)
where:
Base-Base interactions energy: -30.005
where: short stacking energy: -26.310
Base-Backbone interact. energy: -0.829
local terms energy: -65.507026
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -331.583489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.583489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.583489 (E_RNA)
where:
Base-Base interactions energy: -222.154
where: short stacking energy: -92.730
Base-Backbone interact. energy: -0.156
local terms energy: -109.273453
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -23.465
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: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -316.736997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.736997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.736997 (E_RNA)
where:
Base-Base interactions energy: -212.326
where: short stacking energy: -91.501
Base-Backbone interact. energy: -1.199
local terms energy: -103.212890
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -24.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -300.342738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.342738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.342738 (E_RNA)
where:
Base-Base interactions energy: -204.639
where: short stacking energy: -94.181
Base-Backbone interact. energy: -0.150
local terms energy: -95.554265
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -290.395712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.395712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.395712 (E_RNA)
where:
Base-Base interactions energy: -191.235
where: short stacking energy: -93.415
Base-Backbone interact. energy: -0.260
local terms energy: -98.901104
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -29.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -242.949700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.949700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.949700 (E_RNA)
where:
Base-Base interactions energy: -152.422
where: short stacking energy: -68.442
Base-Backbone interact. energy: -1.132
local terms energy: -89.395117
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -189.828281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.828281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.828281 (E_RNA)
where:
Base-Base interactions energy: -110.236
where: short stacking energy: -52.328
Base-Backbone interact. energy: -0.177
local terms energy: -79.415351
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -12.536
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: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -147.220674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.220674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.220674 (E_RNA)
where:
Base-Base interactions energy: -76.729
where: short stacking energy: -53.877
Base-Backbone interact. energy: -0.256
local terms energy: -70.234686
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -213.708131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.708131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.708131 (E_RNA)
where:
Base-Base interactions energy: -146.431
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.165
local terms energy: -67.112154
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -13.779
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: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -124.581995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.581995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.581995 (E_RNA)
where:
Base-Base interactions energy: -52.177
where: short stacking energy: -37.186
Base-Backbone interact. energy: -1.641
local terms energy: -70.763299
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -104.692662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.692662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.692662 (E_RNA)
where:
Base-Base interactions energy: -40.077
where: short stacking energy: -40.077
Base-Backbone interact. energy: -0.131
local terms energy: -64.484534
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -336.338336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.338336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.338336 (E_RNA)
where:
Base-Base interactions energy: -229.780
where: short stacking energy: -99.863
Base-Backbone interact. energy: -0.220
local terms energy: -106.338302
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -29.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -307.535373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.535373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.535373 (E_RNA)
where:
Base-Base interactions energy: -206.362
where: short stacking energy: -90.015
Base-Backbone interact. energy: -0.634
local terms energy: -100.538759
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -22.784
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: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -309.076107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.076107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.076107 (E_RNA)
where:
Base-Base interactions energy: -209.438
where: short stacking energy: -87.281
Base-Backbone interact. energy: -0.974
local terms energy: -98.663729
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -25.037
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: 354
Temperature: 1.050000
Total energy: -291.320560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.320560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.320560 (E_RNA)
where:
Base-Base interactions energy: -212.132
where: short stacking energy: -100.859
Base-Backbone interact. energy: -0.148
local terms energy: -79.040605
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -25.599
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: 354
Temperature: 1.100000
Total energy: -277.738254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.738254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.738254 (E_RNA)
where:
Base-Base interactions energy: -183.304
where: short stacking energy: -88.395
Base-Backbone interact. energy: -0.154
local terms energy: -94.279766
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -23.315
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: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -179.661071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.661071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.661071 (E_RNA)
where:
Base-Base interactions energy: -100.766
where: short stacking energy: -57.884
Base-Backbone interact. energy: 3.007
local terms energy: -81.901834
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -14.763
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: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -211.145600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.145600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.145600 (E_RNA)
where:
Base-Base interactions energy: -131.514
where: short stacking energy: -46.186
Base-Backbone interact. energy: -0.178
local terms energy: -79.453086
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -10.449
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: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -126.516087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.516087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.516087 (E_RNA)
where:
Base-Base interactions energy: -52.081
where: short stacking energy: -45.519
Base-Backbone interact. energy: 0.243
local terms energy: -74.677621
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -110.141082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.141082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.141082 (E_RNA)
where:
Base-Base interactions energy: -58.487
where: short stacking energy: -48.978
Base-Backbone interact. energy: -0.147
local terms energy: -51.507221
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -104.738248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.738248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.738248 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.183
local terms energy: -68.477841
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -330.778193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.778193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.778193 (E_RNA)
where:
Base-Base interactions energy: -218.810
where: short stacking energy: -91.661
Base-Backbone interact. energy: -0.160
local terms energy: -111.808341
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -23.598
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -321.203831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.203831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.203831 (E_RNA)
where:
Base-Base interactions energy: -216.749
where: short stacking energy: -85.662
Base-Backbone interact. energy: -1.170
local terms energy: -103.284893
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -25.006
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: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -295.287747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.287747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.287747 (E_RNA)
where:
Base-Base interactions energy: -192.326
where: short stacking energy: -82.209
Base-Backbone interact. energy: -0.977
local terms energy: -101.985219
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -300.883373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.883373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.883373 (E_RNA)
where:
Base-Base interactions energy: -205.304
where: short stacking energy: -86.927
Base-Backbone interact. energy: -0.113
local terms energy: -95.467124
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -273.370396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.370396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.370396 (E_RNA)
where:
Base-Base interactions energy: -171.728
where: short stacking energy: -85.099
Base-Backbone interact. energy: -0.161
local terms energy: -101.481404
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -24.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -208.779918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.779918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.779918 (E_RNA)
where:
Base-Base interactions energy: -130.953
where: short stacking energy: -64.109
Base-Backbone interact. energy: -0.346
local terms energy: -77.481214
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -175.633651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.633651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.633651 (E_RNA)
where:
Base-Base interactions energy: -87.152
where: short stacking energy: -56.593
Base-Backbone interact. energy: -0.697
local terms energy: -87.784461
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -13.827
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: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -107.919653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.919653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.919653 (E_RNA)
where:
Base-Base interactions energy: -54.956
where: short stacking energy: -50.803
Base-Backbone interact. energy: 0.627
local terms energy: -53.590850
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -121.855866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.855866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.855866 (E_RNA)
where:
Base-Base interactions energy: -59.870
where: short stacking energy: -47.477
Base-Backbone interact. energy: -0.677
local terms energy: -61.309032
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -106.811078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.811078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.811078 (E_RNA)
where:
Base-Base interactions energy: -45.119
where: short stacking energy: -26.108
Base-Backbone interact. energy: -0.239
local terms energy: -61.453239
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -329.758619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.758619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.758619 (E_RNA)
where:
Base-Base interactions energy: -221.846
where: short stacking energy: -99.635
Base-Backbone interact. energy: -0.184
local terms energy: -107.729489
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -24.412
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -328.157505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.157505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.157505 (E_RNA)
where:
Base-Base interactions energy: -225.185
where: short stacking energy: -90.405
Base-Backbone interact. energy: -0.375
local terms energy: -102.597503
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -26.096
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -304.685732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.685732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.685732 (E_RNA)
where:
Base-Base interactions energy: -202.818
where: short stacking energy: -80.517
Base-Backbone interact. energy: -0.459
local terms energy: -101.409033
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -26.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -288.379128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.379128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.379128 (E_RNA)
where:
Base-Base interactions energy: -191.187
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.783
local terms energy: -96.409198
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -24.481
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: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -243.058480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.058480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.058480 (E_RNA)
where:
Base-Base interactions energy: -159.619
where: short stacking energy: -79.979
Base-Backbone interact. energy: -0.279
local terms energy: -83.159949
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.545
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: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -212.174586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.174586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.174586 (E_RNA)
where:
Base-Base interactions energy: -124.114
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.615
local terms energy: -87.446064
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -15.888
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: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -165.172243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.172243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.172243 (E_RNA)
where:
Base-Base interactions energy: -78.772
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.380
local terms energy: -86.019878
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -121.279361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.279361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.279361 (E_RNA)
where:
Base-Base interactions energy: -48.524
where: short stacking energy: -31.442
Base-Backbone interact. energy: 0.506
local terms energy: -73.261190
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -10.919
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -107.432172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.432172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.432172 (E_RNA)
where:
Base-Base interactions energy: -45.581
where: short stacking energy: -27.887
Base-Backbone interact. energy: -0.540
local terms energy: -61.310982
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -11.680
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: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -108.944483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.944483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.944483 (E_RNA)
where:
Base-Base interactions energy: -40.526
where: short stacking energy: -33.050
Base-Backbone interact. energy: -0.380
local terms energy: -68.037609
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -22.024
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -7.023
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: 357
Temperature: 0.900000
Total energy: -332.010572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.010572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.010572 (E_RNA)
where:
Base-Base interactions energy: -222.353
where: short stacking energy: -96.619
Base-Backbone interact. energy: -0.090
local terms energy: -109.567181
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -27.103
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: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -319.736352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.736352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.736352 (E_RNA)
where:
Base-Base interactions energy: -214.042
where: short stacking energy: -94.355
Base-Backbone interact. energy: -0.271
local terms energy: -105.423034
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -24.836
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: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -308.721360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.721360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.721360 (E_RNA)
where:
Base-Base interactions energy: -208.748
where: short stacking energy: -91.050
Base-Backbone interact. energy: -0.862
local terms energy: -99.110625
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -15.907
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: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -289.101591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.101591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.101591 (E_RNA)
where:
Base-Base interactions energy: -189.812
where: short stacking energy: -91.036
Base-Backbone interact. energy: -0.287
local terms energy: -99.002377
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -23.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -245.651834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.651834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.651834 (E_RNA)
where:
Base-Base interactions energy: -149.952
where: short stacking energy: -84.267
Base-Backbone interact. energy: 0.572
local terms energy: -96.271853
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -165.218511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.218511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.218511 (E_RNA)
where:
Base-Base interactions energy: -88.020
where: short stacking energy: -63.215
Base-Backbone interact. energy: -0.239
local terms energy: -76.959144
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -231.092429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.092429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.092429 (E_RNA)
where:
Base-Base interactions energy: -144.633
where: short stacking energy: -73.271
Base-Backbone interact. energy: 0.806
local terms energy: -87.265204
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -116.345899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.345899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.345899 (E_RNA)
where:
Base-Base interactions energy: -43.854
where: short stacking energy: -37.678
Base-Backbone interact. energy: -0.351
local terms energy: -72.141428
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -111.485588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.485588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.485588 (E_RNA)
where:
Base-Base interactions energy: -35.950
where: short stacking energy: -19.116
Base-Backbone interact. energy: -0.035
local terms energy: -75.500750
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -3.937
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: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -102.509209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.509209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.509209 (E_RNA)
where:
Base-Base interactions energy: -37.077
where: short stacking energy: -35.153
Base-Backbone interact. energy: -0.132
local terms energy: -65.300665
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -328.870699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.870699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.870699 (E_RNA)
where:
Base-Base interactions energy: -225.135
where: short stacking energy: -95.388
Base-Backbone interact. energy: -1.198
local terms energy: -102.537411
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -24.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -305.633775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.633775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.633775 (E_RNA)
where:
Base-Base interactions energy: -205.068
where: short stacking energy: -89.737
Base-Backbone interact. energy: -1.472
local terms energy: -99.093466
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -23.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -304.029942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.029942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.029942 (E_RNA)
where:
Base-Base interactions energy: -203.646
where: short stacking energy: -87.760
Base-Backbone interact. energy: -0.356
local terms energy: -100.028316
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -289.770879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.770879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.770879 (E_RNA)
where:
Base-Base interactions energy: -191.353
where: short stacking energy: -90.925
Base-Backbone interact. energy: -1.622
local terms energy: -96.795998
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -12.220
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: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -260.439499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.439499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.439499 (E_RNA)
where:
Base-Base interactions energy: -154.961
where: short stacking energy: -86.688
Base-Backbone interact. energy: -0.152
local terms energy: -105.326089
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -24.938
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: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -144.153385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.153385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.153385 (E_RNA)
where:
Base-Base interactions energy: -74.898
where: short stacking energy: -46.819
Base-Backbone interact. energy: -0.236
local terms energy: -69.019305
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -4.588
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: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -208.820202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.820202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.820202 (E_RNA)
where:
Base-Base interactions energy: -130.294
where: short stacking energy: -77.829
Base-Backbone interact. energy: -0.026
local terms energy: -78.500802
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -9.873
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: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -123.808332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.808332 (E_RNA)
where:
Base-Base interactions energy: -60.236
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.243
local terms energy: -63.329428
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -10.811
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: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -103.651075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.651075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.651075 (E_RNA)
where:
Base-Base interactions energy: -33.385
where: short stacking energy: -31.290
Base-Backbone interact. energy: -1.171
local terms energy: -69.095156
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -101.916902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.916902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.916902 (E_RNA)
where:
Base-Base interactions energy: -36.230
where: short stacking energy: -33.059
Base-Backbone interact. energy: -0.007
local terms energy: -65.680235
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: 4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -320.635468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.635468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.635468 (E_RNA)
where:
Base-Base interactions energy: -215.474
where: short stacking energy: -86.515
Base-Backbone interact. energy: -0.521
local terms energy: -104.640383
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -24.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -314.271543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.271543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.271543 (E_RNA)
where:
Base-Base interactions energy: -208.046
where: short stacking energy: -95.352
Base-Backbone interact. energy: -0.447
local terms energy: -105.778353
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -24.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -300.493515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.493515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.493515 (E_RNA)
where:
Base-Base interactions energy: -201.024
where: short stacking energy: -79.043
Base-Backbone interact. energy: -0.192
local terms energy: -99.277726
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -285.518367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.518367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.518367 (E_RNA)
where:
Base-Base interactions energy: -193.527
where: short stacking energy: -82.270
Base-Backbone interact. energy: -0.229
local terms energy: -91.762261
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -23.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -244.503783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.503783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.503783 (E_RNA)
where:
Base-Base interactions energy: -155.042
where: short stacking energy: -74.066
Base-Backbone interact. energy: -0.453
local terms energy: -89.009123
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -202.996952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.996952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.996952 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.185
local terms energy: -73.694586
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -125.192479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.192479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.192479 (E_RNA)
where:
Base-Base interactions energy: -52.351
where: short stacking energy: -31.670
Base-Backbone interact. energy: 0.756
local terms energy: -73.597210
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -10.818
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: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -114.759492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.759492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.759492 (E_RNA)
where:
Base-Base interactions energy: -45.777
where: short stacking energy: -27.598
Base-Backbone interact. energy: -0.467
local terms energy: -68.515870
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: 1.684
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: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -113.791141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.791141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.791141 (E_RNA)
where:
Base-Base interactions energy: -48.702
where: short stacking energy: -35.172
Base-Backbone interact. energy: -0.117
local terms energy: -64.971284
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -100.494022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.494022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.494022 (E_RNA)
where:
Base-Base interactions energy: -33.006
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.851
local terms energy: -66.636505
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -325.419774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.419774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.419774 (E_RNA)
where:
Base-Base interactions energy: -220.426
where: short stacking energy: -100.379
Base-Backbone interact. energy: -0.246
local terms energy: -104.748152
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -319.017750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.017750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.017750 (E_RNA)
where:
Base-Base interactions energy: -211.381
where: short stacking energy: -104.969
Base-Backbone interact. energy: -0.139
local terms energy: -107.497555
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -28.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -301.796078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.796078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.796078 (E_RNA)
where:
Base-Base interactions energy: -203.618
where: short stacking energy: -93.697
Base-Backbone interact. energy: 0.193
local terms energy: -98.370774
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -27.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -284.485482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.485482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.485482 (E_RNA)
where:
Base-Base interactions energy: -187.087
where: short stacking energy: -78.575
Base-Backbone interact. energy: -1.323
local terms energy: -96.074943
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -17.052
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: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -229.017187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.017187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.017187 (E_RNA)
where:
Base-Base interactions energy: -144.200
where: short stacking energy: -80.429
Base-Backbone interact. energy: 0.498
local terms energy: -85.314814
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -17.549
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: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -229.201397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.201397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.201397 (E_RNA)
where:
Base-Base interactions energy: -139.388
where: short stacking energy: -72.225
Base-Backbone interact. energy: 0.587
local terms energy: -90.399986
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -122.431801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.431801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.431801 (E_RNA)
where:
Base-Base interactions energy: -36.552
where: short stacking energy: -36.552
Base-Backbone interact. energy: -0.130
local terms energy: -85.749348
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -117.520386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.520386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.520386 (E_RNA)
where:
Base-Base interactions energy: -56.330
where: short stacking energy: -50.501
Base-Backbone interact. energy: -1.287
local terms energy: -59.903571
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -114.066488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.066488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.066488 (E_RNA)
where:
Base-Base interactions energy: -45.839
where: short stacking energy: -44.211
Base-Backbone interact. energy: 0.254
local terms energy: -68.481594
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -117.802237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.802237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.802237 (E_RNA)
where:
Base-Base interactions energy: -47.156
where: short stacking energy: -34.652
Base-Backbone interact. energy: -0.360
local terms energy: -70.286460
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -321.761891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.761891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.761891 (E_RNA)
where:
Base-Base interactions energy: -216.689
where: short stacking energy: -100.425
Base-Backbone interact. energy: 2.885
local terms energy: -107.957128
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -25.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -315.995764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.995764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.995764 (E_RNA)
where:
Base-Base interactions energy: -213.059
where: short stacking energy: -85.126
Base-Backbone interact. energy: -0.874
local terms energy: -102.063057
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -28.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -296.496429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.496429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.496429 (E_RNA)
where:
Base-Base interactions energy: -198.811
where: short stacking energy: -84.406
Base-Backbone interact. energy: -0.664
local terms energy: -97.022078
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -25.183
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: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -282.586840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.586840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.586840 (E_RNA)
where:
Base-Base interactions energy: -190.489
where: short stacking energy: -86.024
Base-Backbone interact. energy: 1.824
local terms energy: -93.921831
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -20.380
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: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -225.490998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.490998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.490998 (E_RNA)
where:
Base-Base interactions energy: -136.592
where: short stacking energy: -74.730
Base-Backbone interact. energy: -0.029
local terms energy: -88.869138
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -20.964
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: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -213.669726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.669726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.669726 (E_RNA)
where:
Base-Base interactions energy: -136.598
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.508
local terms energy: -76.564192
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -12.234
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: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -117.502401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.502401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.502401 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -39.070
Base-Backbone interact. energy: -0.239
local terms energy: -78.192954
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -12.673
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: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -117.462256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.462256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.462256 (E_RNA)
where:
Base-Base interactions energy: -52.178
where: short stacking energy: -46.853
Base-Backbone interact. energy: -0.448
local terms energy: -64.837178
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -111.499349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.499349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.499349 (E_RNA)
where:
Base-Base interactions energy: -39.708
where: short stacking energy: -39.708
Base-Backbone interact. energy: -0.515
local terms energy: -71.276070
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -6.561
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: 361
Temperature: 1.350000
Total energy: -102.217118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.217118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.217118 (E_RNA)
where:
Base-Base interactions energy: -31.673
where: short stacking energy: -29.738
Base-Backbone interact. energy: -0.878
local terms energy: -69.666598
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -5.668
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: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -325.898298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.898298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.898298 (E_RNA)
where:
Base-Base interactions energy: -214.029
where: short stacking energy: -100.937
Base-Backbone interact. energy: -0.092
local terms energy: -111.777005
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -29.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -315.594003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.594003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.594003 (E_RNA)
where:
Base-Base interactions energy: -214.410
where: short stacking energy: -93.083
Base-Backbone interact. energy: -1.506
local terms energy: -99.678214
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -25.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -293.426944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.426944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.426944 (E_RNA)
where:
Base-Base interactions energy: -193.244
where: short stacking energy: -88.120
Base-Backbone interact. energy: -0.412
local terms energy: -99.770836
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -297.598976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.598976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.598976 (E_RNA)
where:
Base-Base interactions energy: -196.776
where: short stacking energy: -86.473
Base-Backbone interact. energy: -0.272
local terms energy: -100.551439
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -225.500202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.500202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.500202 (E_RNA)
where:
Base-Base interactions energy: -144.034
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.481
local terms energy: -80.984906
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -235.668520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.668520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.668520 (E_RNA)
where:
Base-Base interactions energy: -146.803
where: short stacking energy: -72.695
Base-Backbone interact. energy: 0.180
local terms energy: -89.045181
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -117.935857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.935857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.935857 (E_RNA)
where:
Base-Base interactions energy: -41.321
where: short stacking energy: -36.194
Base-Backbone interact. energy: 1.437
local terms energy: -78.052031
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -114.322181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.322181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.322181 (E_RNA)
where:
Base-Base interactions energy: -49.189
where: short stacking energy: -35.406
Base-Backbone interact. energy: -0.324
local terms energy: -64.809302
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -2.318
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: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -104.011525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.011525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.011525 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -34.393
Base-Backbone interact. energy: -0.260
local terms energy: -69.358906
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -4.792
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: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -104.819868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.819868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.819868 (E_RNA)
where:
Base-Base interactions energy: -35.943
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.560
local terms energy: -68.316718
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -7.666
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: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -323.452529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.452529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.452529 (E_RNA)
where:
Base-Base interactions energy: -221.549
where: short stacking energy: -98.742
Base-Backbone interact. energy: -0.744
local terms energy: -101.159749
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -25.804
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: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -302.871055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.871055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.871055 (E_RNA)
where:
Base-Base interactions energy: -198.674
where: short stacking energy: -88.901
Base-Backbone interact. energy: -0.834
local terms energy: -103.362653
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -24.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -287.698313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.698313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.698313 (E_RNA)
where:
Base-Base interactions energy: -191.004
where: short stacking energy: -83.468
Base-Backbone interact. energy: -1.021
local terms energy: -95.673869
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -22.449
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: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -298.991301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.991301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.991301 (E_RNA)
where:
Base-Base interactions energy: -204.246
where: short stacking energy: -83.578
Base-Backbone interact. energy: -0.317
local terms energy: -94.428359
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -234.906164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.906164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.906164 (E_RNA)
where:
Base-Base interactions energy: -140.707
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.603
local terms energy: -93.595623
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -16.273
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: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -219.339674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.339674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.339674 (E_RNA)
where:
Base-Base interactions energy: -133.875
where: short stacking energy: -67.395
Base-Backbone interact. energy: -0.196
local terms energy: -85.268705
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -119.299345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.299345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.299345 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -37.849
Base-Backbone interact. energy: -0.317
local terms energy: -81.133299
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -116.619108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.619108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.619108 (E_RNA)
where:
Base-Base interactions energy: -53.905
where: short stacking energy: -35.876
Base-Backbone interact. energy: -0.521
local terms energy: -62.193704
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -10.789
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: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -102.711743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.711743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.711743 (E_RNA)
where:
Base-Base interactions energy: -38.154
where: short stacking energy: -38.154
Base-Backbone interact. energy: 0.684
local terms energy: -65.242087
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -11.130
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: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -110.912753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.912753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.912753 (E_RNA)
where:
Base-Base interactions energy: -35.059
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.550
local terms energy: -75.304126
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -331.958437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.958437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.958437 (E_RNA)
where:
Base-Base interactions energy: -221.492
where: short stacking energy: -92.617
Base-Backbone interact. energy: -0.234
local terms energy: -110.232271
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -323.052464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.052464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.052464 (E_RNA)
where:
Base-Base interactions energy: -218.896
where: short stacking energy: -99.326
Base-Backbone interact. energy: -1.180
local terms energy: -102.976948
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -304.296008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.296008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.296008 (E_RNA)
where:
Base-Base interactions energy: -206.007
where: short stacking energy: -90.418
Base-Backbone interact. energy: -0.235
local terms energy: -98.053967
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -24.986
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: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -286.590122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.590122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.590122 (E_RNA)
where:
Base-Base interactions energy: -178.705
where: short stacking energy: -74.994
Base-Backbone interact. energy: -0.072
local terms energy: -107.812934
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -26.390
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -24.827
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: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -244.339464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.339464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.339464 (E_RNA)
where:
Base-Base interactions energy: -148.068
where: short stacking energy: -89.432
Base-Backbone interact. energy: -0.396
local terms energy: -95.875958
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -22.525
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: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -237.578444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.578444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.578444 (E_RNA)
where:
Base-Base interactions energy: -145.568
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.047
local terms energy: -91.963710
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -122.445556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.445556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.445556 (E_RNA)
where:
Base-Base interactions energy: -40.413
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.127
local terms energy: -81.905651
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -115.275315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.275315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.275315 (E_RNA)
where:
Base-Base interactions energy: -44.973
where: short stacking energy: -42.707
Base-Backbone interact. energy: -0.869
local terms energy: -69.432714
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -159.373319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.373319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.373319 (E_RNA)
where:
Base-Base interactions energy: -79.334
where: short stacking energy: -53.618
Base-Backbone interact. energy: -0.719
local terms energy: -79.320438
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -103.786627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.786627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.786627 (E_RNA)
where:
Base-Base interactions energy: -36.574
where: short stacking energy: -36.169
Base-Backbone interact. energy: -0.580
local terms energy: -66.632357
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -330.956400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.956400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.956400 (E_RNA)
where:
Base-Base interactions energy: -227.900
where: short stacking energy: -96.279
Base-Backbone interact. energy: -0.319
local terms energy: -102.737012
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -26.664
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: 365
Temperature: 0.950000
Total energy: -318.541158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.541158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.541158 (E_RNA)
where:
Base-Base interactions energy: -218.255
where: short stacking energy: -95.872
Base-Backbone interact. energy: -0.227
local terms energy: -100.059970
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -301.845597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.845597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.845597 (E_RNA)
where:
Base-Base interactions energy: -201.662
where: short stacking energy: -94.912
Base-Backbone interact. energy: -0.200
local terms energy: -99.983300
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -27.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -284.671167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.671167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.671167 (E_RNA)
where:
Base-Base interactions energy: -185.088
where: short stacking energy: -82.094
Base-Backbone interact. energy: -1.800
local terms energy: -97.782779
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -248.657137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.657137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.657137 (E_RNA)
where:
Base-Base interactions energy: -155.936
where: short stacking energy: -88.498
Base-Backbone interact. energy: -0.036
local terms energy: -92.684591
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -224.609528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.609528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.609528 (E_RNA)
where:
Base-Base interactions energy: -136.797
where: short stacking energy: -69.345
Base-Backbone interact. energy: -0.167
local terms energy: -87.645736
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -11.729
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: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -127.781681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.781681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.781681 (E_RNA)
where:
Base-Base interactions energy: -49.641
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.027
local terms energy: -78.114250
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -150.572734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.572734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.572734 (E_RNA)
where:
Base-Base interactions energy: -88.746
where: short stacking energy: -52.929
Base-Backbone interact. energy: 1.430
local terms energy: -63.256274
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -8.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -119.339510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.339510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.339510 (E_RNA)
where:
Base-Base interactions energy: -47.254
where: short stacking energy: -40.357
Base-Backbone interact. energy: -0.340
local terms energy: -71.745935
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -90.479082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.479082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.479082 (E_RNA)
where:
Base-Base interactions energy: -35.191
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.191
local terms energy: -55.097086
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -328.981563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.981563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.981563 (E_RNA)
where:
Base-Base interactions energy: -218.080
where: short stacking energy: -99.330
Base-Backbone interact. energy: -0.667
local terms energy: -110.234014
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -29.337
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: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -320.341207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.341207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.341207 (E_RNA)
where:
Base-Base interactions energy: -215.995
where: short stacking energy: -101.472
Base-Backbone interact. energy: -0.091
local terms energy: -104.254650
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -28.264
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: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -292.605027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.605027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.605027 (E_RNA)
where:
Base-Base interactions energy: -197.927
where: short stacking energy: -79.973
Base-Backbone interact. energy: -1.526
local terms energy: -93.151785
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -316.765466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.765466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.765466 (E_RNA)
where:
Base-Base interactions energy: -215.268
where: short stacking energy: -100.307
Base-Backbone interact. energy: -0.232
local terms energy: -101.264904
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -258.096336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.096336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.096336 (E_RNA)
where:
Base-Base interactions energy: -157.874
where: short stacking energy: -87.368
Base-Backbone interact. energy: -0.001
local terms energy: -100.221308
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -28.967
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: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -214.983364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.983364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.983364 (E_RNA)
where:
Base-Base interactions energy: -125.907
where: short stacking energy: -67.022
Base-Backbone interact. energy: -1.320
local terms energy: -87.756561
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -153.111000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.111000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.111000 (E_RNA)
where:
Base-Base interactions energy: -79.955
where: short stacking energy: -47.771
Base-Backbone interact. energy: -0.508
local terms energy: -72.648743
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -112.811944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.811944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.811944 (E_RNA)
where:
Base-Base interactions energy: -43.070
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.354
local terms energy: -69.388132
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -107.764446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.764446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.764446 (E_RNA)
where:
Base-Base interactions energy: -49.131
where: short stacking energy: -41.123
Base-Backbone interact. energy: 0.262
local terms energy: -58.895226
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -108.866256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.866256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.866256 (E_RNA)
where:
Base-Base interactions energy: -51.825
where: short stacking energy: -24.197
Base-Backbone interact. energy: 0.462
local terms energy: -57.503609
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -12.790
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: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -338.954339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.954339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.954339 (E_RNA)
where:
Base-Base interactions energy: -231.263
where: short stacking energy: -100.808
Base-Backbone interact. energy: -0.478
local terms energy: -107.213715
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -28.902
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: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -327.303201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.303201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.303201 (E_RNA)
where:
Base-Base interactions energy: -218.682
where: short stacking energy: -100.392
Base-Backbone interact. energy: -1.202
local terms energy: -107.419777
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -24.375
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -271.108262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.108262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.108262 (E_RNA)
where:
Base-Base interactions energy: -187.913
where: short stacking energy: -70.609
Base-Backbone interact. energy: 1.626
local terms energy: -84.821571
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -12.382
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: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -290.326764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.326764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.326764 (E_RNA)
where:
Base-Base interactions energy: -195.744
where: short stacking energy: -90.175
Base-Backbone interact. energy: -0.139
local terms energy: -94.444147
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -244.964827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.964827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.964827 (E_RNA)
where:
Base-Base interactions energy: -155.604
where: short stacking energy: -81.476
Base-Backbone interact. energy: -0.593
local terms energy: -88.767758
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -20.568
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: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -164.306015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.306015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.306015 (E_RNA)
where:
Base-Base interactions energy: -86.461
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.200
local terms energy: -77.645013
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -9.914
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: 7, replica: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -159.357915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.357915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.357915 (E_RNA)
where:
Base-Base interactions energy: -89.093
where: short stacking energy: -51.978
Base-Backbone interact. energy: 1.457
local terms energy: -71.722795
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -121.230559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.230559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.230559 (E_RNA)
where:
Base-Base interactions energy: -57.593
where: short stacking energy: -54.813
Base-Backbone interact. energy: -0.145
local terms energy: -63.492556
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -7.130
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: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -113.239781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.239781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.239781 (E_RNA)
where:
Base-Base interactions energy: -41.601
where: short stacking energy: -41.153
Base-Backbone interact. energy: -0.427
local terms energy: -71.211503
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -107.956091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.956091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.956091 (E_RNA)
where:
Base-Base interactions energy: -45.912
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.282
local terms energy: -61.761492
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -332.297670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.297670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.297670 (E_RNA)
where:
Base-Base interactions energy: -230.835
where: short stacking energy: -105.292
Base-Backbone interact. energy: -0.209
local terms energy: -101.253616
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -320.189112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.189112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.189112 (E_RNA)
where:
Base-Base interactions energy: -213.744
where: short stacking energy: -91.531
Base-Backbone interact. energy: 0.153
local terms energy: -106.598446
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -313.451368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.451368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.451368 (E_RNA)
where:
Base-Base interactions energy: -216.541
where: short stacking energy: -83.337
Base-Backbone interact. energy: -0.235
local terms energy: -96.675562
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -12.302
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: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -257.254189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.254189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.254189 (E_RNA)
where:
Base-Base interactions energy: -171.445
where: short stacking energy: -73.092
Base-Backbone interact. energy: -1.456
local terms energy: -84.353047
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -257.816310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.816310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.816310 (E_RNA)
where:
Base-Base interactions energy: -164.993
where: short stacking energy: -83.750
Base-Backbone interact. energy: -0.010
local terms energy: -92.813274
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -26.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -172.584696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.584696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.584696 (E_RNA)
where:
Base-Base interactions energy: -90.945
where: short stacking energy: -56.344
Base-Backbone interact. energy: -0.056
local terms energy: -81.583861
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -161.613270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.613270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.613270 (E_RNA)
where:
Base-Base interactions energy: -82.928
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.264
local terms energy: -78.420968
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -10.056
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: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -118.543358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.543358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.543358 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -35.420
Base-Backbone interact. energy: -0.438
local terms energy: -82.685020
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -12.923
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: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -101.922782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.922782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.922782 (E_RNA)
where:
Base-Base interactions energy: -55.645
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.125
local terms energy: -46.153123
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: 2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -121.494891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.494891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.494891 (E_RNA)
where:
Base-Base interactions energy: -50.782
where: short stacking energy: -35.042
Base-Backbone interact. energy: 0.649
local terms energy: -71.362202
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -328.177964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.177964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.177964 (E_RNA)
where:
Base-Base interactions energy: -226.048
where: short stacking energy: -96.502
Base-Backbone interact. energy: -0.106
local terms energy: -102.024494
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -25.541
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: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -297.280387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.280387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.280387 (E_RNA)
where:
Base-Base interactions energy: -196.057
where: short stacking energy: -100.554
Base-Backbone interact. energy: -0.131
local terms energy: -101.092102
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -28.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -314.461930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.461930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.461930 (E_RNA)
where:
Base-Base interactions energy: -211.140
where: short stacking energy: -84.586
Base-Backbone interact. energy: 1.624
local terms energy: -104.945812
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -245.901629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.901629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.901629 (E_RNA)
where:
Base-Base interactions energy: -158.050
where: short stacking energy: -75.712
Base-Backbone interact. energy: 0.719
local terms energy: -88.570262
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -9.612
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: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -263.709749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.709749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.709749 (E_RNA)
where:
Base-Base interactions energy: -174.076
where: short stacking energy: -76.046
Base-Backbone interact. energy: -0.269
local terms energy: -89.363978
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -161.122163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.122163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.122163 (E_RNA)
where:
Base-Base interactions energy: -82.123
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.125
local terms energy: -78.874310
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -13.111
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: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -171.378133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.378133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.378133 (E_RNA)
where:
Base-Base interactions energy: -88.390
where: short stacking energy: -55.595
Base-Backbone interact. energy: -0.158
local terms energy: -82.830004
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -10.580
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: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -120.551999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.551999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.551999 (E_RNA)
where:
Base-Base interactions energy: -51.393
where: short stacking energy: -46.318
Base-Backbone interact. energy: -1.070
local terms energy: -68.089773
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -119.599292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.599292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.599292 (E_RNA)
where:
Base-Base interactions energy: -38.898
where: short stacking energy: -38.409
Base-Backbone interact. energy: -0.203
local terms energy: -80.497915
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -121.112628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.112628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.112628 (E_RNA)
where:
Base-Base interactions energy: -62.727
where: short stacking energy: -38.891
Base-Backbone interact. energy: 0.784
local terms energy: -59.169329
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -310.057205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.057205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.057205 (E_RNA)
where:
Base-Base interactions energy: -206.164
where: short stacking energy: -98.192
Base-Backbone interact. energy: -0.811
local terms energy: -103.082387
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -29.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -320.830588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.830588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.830588 (E_RNA)
where:
Base-Base interactions energy: -216.614
where: short stacking energy: -94.264
Base-Backbone interact. energy: 0.292
local terms energy: -104.508372
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -29.089
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: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -324.925160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.925160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.925160 (E_RNA)
where:
Base-Base interactions energy: -224.382
where: short stacking energy: -95.851
Base-Backbone interact. energy: -0.646
local terms energy: -99.897508
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -28.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -245.232373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.232373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.232373 (E_RNA)
where:
Base-Base interactions energy: -152.190
where: short stacking energy: -71.442
Base-Backbone interact. energy: 3.343
local terms energy: -96.384976
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -263.789629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.789629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.789629 (E_RNA)
where:
Base-Base interactions energy: -174.070
where: short stacking energy: -72.241
Base-Backbone interact. energy: -0.186
local terms energy: -89.534059
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -19.153
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: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -169.643874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.643874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.643874 (E_RNA)
where:
Base-Base interactions energy: -84.138
where: short stacking energy: -58.072
Base-Backbone interact. energy: -0.370
local terms energy: -85.135827
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -10.073
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: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -134.378065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.378065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.378065 (E_RNA)
where:
Base-Base interactions energy: -61.253
where: short stacking energy: -49.240
Base-Backbone interact. energy: -0.233
local terms energy: -72.892278
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -5.517
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: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -151.036870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.036870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.036870 (E_RNA)
where:
Base-Base interactions energy: -81.964
where: short stacking energy: -53.228
Base-Backbone interact. energy: -0.110
local terms energy: -68.963683
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -9.028
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: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -109.384313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.384313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.384313 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.446
local terms energy: -76.036204
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -114.197478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.197478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.197478 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -36.992
Base-Backbone interact. energy: -0.362
local terms energy: -77.243295
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -309.652287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.652287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.652287 (E_RNA)
where:
Base-Base interactions energy: -205.560
where: short stacking energy: -89.825
Base-Backbone interact. energy: 0.198
local terms energy: -104.290748
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -14.763
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: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -330.668845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.668845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.668845 (E_RNA)
where:
Base-Base interactions energy: -222.838
where: short stacking energy: -94.979
Base-Backbone interact. energy: -0.232
local terms energy: -107.598090
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -27.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -307.840915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.840915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.840915 (E_RNA)
where:
Base-Base interactions energy: -201.757
where: short stacking energy: -95.164
Base-Backbone interact. energy: -0.627
local terms energy: -105.456940
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -277.543686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.543686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.543686 (E_RNA)
where:
Base-Base interactions energy: -190.746
where: short stacking energy: -77.494
Base-Backbone interact. energy: -0.667
local terms energy: -86.130034
where:
bonds (distance) C4'-P energy: -20.938
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -18.409
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -214.791208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.791208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.791208 (E_RNA)
where:
Base-Base interactions energy: -130.561
where: short stacking energy: -75.657
Base-Backbone interact. energy: -0.347
local terms energy: -83.882849
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -176.505856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.505856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.505856 (E_RNA)
where:
Base-Base interactions energy: -93.354
where: short stacking energy: -56.624
Base-Backbone interact. energy: -0.101
local terms energy: -83.050601
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -117.208334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.208334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.208334 (E_RNA)
where:
Base-Base interactions energy: -46.930
where: short stacking energy: -38.086
Base-Backbone interact. energy: -0.132
local terms energy: -70.146105
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: 0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -109.022115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.022115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.022115 (E_RNA)
where:
Base-Base interactions energy: -42.704
where: short stacking energy: -42.586
Base-Backbone interact. energy: -0.057
local terms energy: -66.261466
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -5.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -145.070639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.070639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.070639 (E_RNA)
where:
Base-Base interactions energy: -70.723
where: short stacking energy: -45.480
Base-Backbone interact. energy: 0.878
local terms energy: -75.225254
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -1.616
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -113.499949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.499949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.499949 (E_RNA)
where:
Base-Base interactions energy: -44.834
where: short stacking energy: -44.790
Base-Backbone interact. energy: -0.115
local terms energy: -68.551174
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -6.045
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: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -332.077102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.077102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.077102 (E_RNA)
where:
Base-Base interactions energy: -219.303
where: short stacking energy: -96.733
Base-Backbone interact. energy: -0.611
local terms energy: -112.163759
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -28.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -313.975188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.975188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.975188 (E_RNA)
where:
Base-Base interactions energy: -205.277
where: short stacking energy: -96.892
Base-Backbone interact. energy: -0.428
local terms energy: -108.270258
where:
bonds (distance) C4'-P energy: -22.109
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -27.271
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: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -323.815098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.815098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.815098 (E_RNA)
where:
Base-Base interactions energy: -217.870
where: short stacking energy: -92.744
Base-Backbone interact. energy: 0.448
local terms energy: -106.392710
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -25.293
flat angles P-C4'-P energy: -16.537
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: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -288.163963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.163963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.163963 (E_RNA)
where:
Base-Base interactions energy: -194.605
where: short stacking energy: -75.993
Base-Backbone interact. energy: -0.890
local terms energy: -92.669389
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -18.935
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: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -202.977017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.977017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.977017 (E_RNA)
where:
Base-Base interactions energy: -128.059
where: short stacking energy: -69.322
Base-Backbone interact. energy: -0.432
local terms energy: -74.486281
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -157.076618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.076618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.076618 (E_RNA)
where:
Base-Base interactions energy: -84.201
where: short stacking energy: -55.693
Base-Backbone interact. energy: -0.371
local terms energy: -72.504291
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -9.424
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: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -112.039775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.039775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.039775 (E_RNA)
where:
Base-Base interactions energy: -42.183
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.255
local terms energy: -69.601756
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -124.176232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.176232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.176232 (E_RNA)
where:
Base-Base interactions energy: -41.675
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.268
local terms energy: -82.233456
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -124.091961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.091961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.091961 (E_RNA)
where:
Base-Base interactions energy: -64.474
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.473
local terms energy: -59.145157
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -96.576709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.576709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.576709 (E_RNA)
where:
Base-Base interactions energy: -34.490
where: short stacking energy: -29.317
Base-Backbone interact. energy: 0.545
local terms energy: -62.631613
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -0.394
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: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -325.049714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.049714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.049714 (E_RNA)
where:
Base-Base interactions energy: -215.279
where: short stacking energy: -98.770
Base-Backbone interact. energy: -0.223
local terms energy: -109.547511
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -316.919860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.919860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.919860 (E_RNA)
where:
Base-Base interactions energy: -211.992
where: short stacking energy: -91.116
Base-Backbone interact. energy: 0.201
local terms energy: -105.128223
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -24.201
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -25.646
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: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -311.823415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.823415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.823415 (E_RNA)
where:
Base-Base interactions energy: -206.454
where: short stacking energy: -92.377
Base-Backbone interact. energy: -0.164
local terms energy: -105.204925
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -28.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -279.950697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.950697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.950697 (E_RNA)
where:
Base-Base interactions energy: -182.740
where: short stacking energy: -81.956
Base-Backbone interact. energy: -0.385
local terms energy: -96.826130
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -22.804
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: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -235.798051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.798051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.798051 (E_RNA)
where:
Base-Base interactions energy: -143.341
where: short stacking energy: -81.420
Base-Backbone interact. energy: -0.110
local terms energy: -92.347969
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -168.131902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.131902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.131902 (E_RNA)
where:
Base-Base interactions energy: -82.566
where: short stacking energy: -47.255
Base-Backbone interact. energy: -0.223
local terms energy: -85.343143
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -118.160072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.160072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.160072 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -27.131
Base-Backbone interact. energy: 0.541
local terms energy: -72.849565
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -119.852533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.852533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.852533 (E_RNA)
where:
Base-Base interactions energy: -56.010
where: short stacking energy: -44.765
Base-Backbone interact. energy: 1.194
local terms energy: -65.036089
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -110.536299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.536299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.536299 (E_RNA)
where:
Base-Base interactions energy: -48.931
where: short stacking energy: -33.806
Base-Backbone interact. energy: 3.544
local terms energy: -65.148658
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -102.927367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.927367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.927367 (E_RNA)
where:
Base-Base interactions energy: -38.875
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.138
local terms energy: -63.914756
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: 2.802
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: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -325.934564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.934564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.934564 (E_RNA)
where:
Base-Base interactions energy: -218.985
where: short stacking energy: -86.056
Base-Backbone interact. energy: -0.678
local terms energy: -106.271687
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -21.115
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -25.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -323.012453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.012453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.012453 (E_RNA)
where:
Base-Base interactions energy: -211.381
where: short stacking energy: -103.670
Base-Backbone interact. energy: -0.190
local terms energy: -111.441503
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -29.273
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: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -316.224699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.224699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.224699 (E_RNA)
where:
Base-Base interactions energy: -212.129
where: short stacking energy: -94.485
Base-Backbone interact. energy: -0.085
local terms energy: -104.010889
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -25.729
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: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -284.468062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.468062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.468062 (E_RNA)
where:
Base-Base interactions energy: -190.817
where: short stacking energy: -72.551
Base-Backbone interact. energy: -0.613
local terms energy: -93.038171
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -16.748
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: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -236.401894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.401894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.401894 (E_RNA)
where:
Base-Base interactions energy: -144.612
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.209
local terms energy: -91.580439
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -172.386629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.386629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.386629 (E_RNA)
where:
Base-Base interactions energy: -90.810
where: short stacking energy: -56.131
Base-Backbone interact. energy: -0.374
local terms energy: -81.202988
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -174.840886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.840886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.840886 (E_RNA)
where:
Base-Base interactions energy: -97.100
where: short stacking energy: -55.259
Base-Backbone interact. energy: -1.432
local terms energy: -76.308765
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -6.648
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: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -129.022214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.022214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.022214 (E_RNA)
where:
Base-Base interactions energy: -64.951
where: short stacking energy: -43.690
Base-Backbone interact. energy: 0.445
local terms energy: -64.516411
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -107.846097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.846097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.846097 (E_RNA)
where:
Base-Base interactions energy: -30.505
where: short stacking energy: -29.834
Base-Backbone interact. energy: -0.361
local terms energy: -76.980652
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -2.029
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: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -110.687367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.687367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.687367 (E_RNA)
where:
Base-Base interactions energy: -44.113
where: short stacking energy: -39.528
Base-Backbone interact. energy: -0.526
local terms energy: -66.048217
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -323.154835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.154835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.154835 (E_RNA)
where:
Base-Base interactions energy: -220.335
where: short stacking energy: -97.350
Base-Backbone interact. energy: -0.514
local terms energy: -102.305798
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -27.530
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: 375
Temperature: 0.950000
Total energy: -320.363884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.363884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.363884 (E_RNA)
where:
Base-Base interactions energy: -202.711
where: short stacking energy: -89.295
Base-Backbone interact. energy: -0.375
local terms energy: -117.278250
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -328.397366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.397366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.397366 (E_RNA)
where:
Base-Base interactions energy: -229.408
where: short stacking energy: -100.742
Base-Backbone interact. energy: -0.608
local terms energy: -98.381337
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -27.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -284.733576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.733576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.733576 (E_RNA)
where:
Base-Base interactions energy: -197.140
where: short stacking energy: -88.240
Base-Backbone interact. energy: -0.595
local terms energy: -86.998721
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -246.418186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.418186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.418186 (E_RNA)
where:
Base-Base interactions energy: -142.960
where: short stacking energy: -75.907
Base-Backbone interact. energy: -0.350
local terms energy: -103.108098
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -22.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -177.580362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.580362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.580362 (E_RNA)
where:
Base-Base interactions energy: -105.288
where: short stacking energy: -55.588
Base-Backbone interact. energy: -0.428
local terms energy: -71.864956
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -7.695
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: 7
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -160.389066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.389066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.389066 (E_RNA)
where:
Base-Base interactions energy: -83.627
where: short stacking energy: -56.272
Base-Backbone interact. energy: -0.130
local terms energy: -76.631459
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -114.685479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.685479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.685479 (E_RNA)
where:
Base-Base interactions energy: -46.056
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.167
local terms energy: -68.462198
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -107.116217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.116217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.116217 (E_RNA)
where:
Base-Base interactions energy: -40.122
where: short stacking energy: -37.789
Base-Backbone interact. energy: -0.305
local terms energy: -66.689121
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -5.442
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: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -104.936243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.936243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.936243 (E_RNA)
where:
Base-Base interactions energy: -49.980
where: short stacking energy: -37.981
Base-Backbone interact. energy: 0.369
local terms energy: -55.325883
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -325.863862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.863862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.863862 (E_RNA)
where:
Base-Base interactions energy: -220.386
where: short stacking energy: -102.270
Base-Backbone interact. energy: -0.831
local terms energy: -104.646686
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -28.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -301.541183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.541183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.541183 (E_RNA)
where:
Base-Base interactions energy: -193.032
where: short stacking energy: -91.945
Base-Backbone interact. energy: -0.160
local terms energy: -108.349833
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -24.238
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -25.843
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: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -304.302161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.302161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.302161 (E_RNA)
where:
Base-Base interactions energy: -206.436
where: short stacking energy: -87.527
Base-Backbone interact. energy: -2.152
local terms energy: -95.714652
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -23.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -293.865883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.865883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.865883 (E_RNA)
where:
Base-Base interactions energy: -202.062
where: short stacking energy: -96.189
Base-Backbone interact. energy: -0.064
local terms energy: -91.739779
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -26.479
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: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -237.964578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.964578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.964578 (E_RNA)
where:
Base-Base interactions energy: -144.357
where: short stacking energy: -76.232
Base-Backbone interact. energy: -0.072
local terms energy: -93.535509
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -169.385223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.385223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.385223 (E_RNA)
where:
Base-Base interactions energy: -81.865
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.399
local terms energy: -87.121405
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -123.555749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.555749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.555749 (E_RNA)
where:
Base-Base interactions energy: -60.749
where: short stacking energy: -55.439
Base-Backbone interact. energy: -0.314
local terms energy: -62.493034
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -153.775713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.775713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.775713 (E_RNA)
where:
Base-Base interactions energy: -71.251
where: short stacking energy: -45.811
Base-Backbone interact. energy: -0.782
local terms energy: -81.742533
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -108.336948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.336948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.336948 (E_RNA)
where:
Base-Base interactions energy: -40.156
where: short stacking energy: -33.440
Base-Backbone interact. energy: 0.853
local terms energy: -69.034576
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -104.312792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.312792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.312792 (E_RNA)
where:
Base-Base interactions energy: -44.834
where: short stacking energy: -39.829
Base-Backbone interact. energy: -0.131
local terms energy: -59.347060
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -1.429
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -321.281466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.281466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.281466 (E_RNA)
where:
Base-Base interactions energy: -220.187
where: short stacking energy: -98.370
Base-Backbone interact. energy: -0.631
local terms energy: -100.463717
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -313.084018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.084018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.084018 (E_RNA)
where:
Base-Base interactions energy: -208.714
where: short stacking energy: -100.770
Base-Backbone interact. energy: -0.393
local terms energy: -103.976666
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -29.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -297.128237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.128237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.128237 (E_RNA)
where:
Base-Base interactions energy: -213.476
where: short stacking energy: -87.948
Base-Backbone interact. energy: 0.123
local terms energy: -83.774877
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -23.668
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: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -293.576077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.576077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.576077 (E_RNA)
where:
Base-Base interactions energy: -198.707
where: short stacking energy: -85.466
Base-Backbone interact. energy: -0.692
local terms energy: -94.176810
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -235.099739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.099739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.099739 (E_RNA)
where:
Base-Base interactions energy: -137.276
where: short stacking energy: -74.417
Base-Backbone interact. energy: 0.034
local terms energy: -97.858510
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -176.057545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.057545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.057545 (E_RNA)
where:
Base-Base interactions energy: -84.411
where: short stacking energy: -54.621
Base-Backbone interact. energy: -1.195
local terms energy: -90.451079
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -131.670005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.670005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.670005 (E_RNA)
where:
Base-Base interactions energy: -61.107
where: short stacking energy: -39.541
Base-Backbone interact. energy: -1.434
local terms energy: -69.129710
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -140.238362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.238362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.238362 (E_RNA)
where:
Base-Base interactions energy: -71.829
where: short stacking energy: -43.813
Base-Backbone interact. energy: 0.785
local terms energy: -69.194408
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -100.721014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.721014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.721014 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.760
local terms energy: -64.886594
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -12.511
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: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -101.171724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.171724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.171724 (E_RNA)
where:
Base-Base interactions energy: -37.159
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.245
local terms energy: -63.768276
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -315.025339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.025339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.025339 (E_RNA)
where:
Base-Base interactions energy: -202.627
where: short stacking energy: -104.330
Base-Backbone interact. energy: -0.148
local terms energy: -112.250049
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -17.177
tors. eta vs tors. theta energy: -30.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -319.355819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.355819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.355819 (E_RNA)
where:
Base-Base interactions energy: -209.648
where: short stacking energy: -97.413
Base-Backbone interact. energy: -0.222
local terms energy: -109.486238
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -29.074
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: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -289.331359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.331359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.331359 (E_RNA)
where:
Base-Base interactions energy: -191.844
where: short stacking energy: -88.720
Base-Backbone interact. energy: -1.404
local terms energy: -96.082914
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -24.022
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -281.592931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.592931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.592931 (E_RNA)
where:
Base-Base interactions energy: -180.537
where: short stacking energy: -79.816
Base-Backbone interact. energy: -0.365
local terms energy: -100.690250
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -231.547422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.547422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.547422 (E_RNA)
where:
Base-Base interactions energy: -137.881
where: short stacking energy: -77.986
Base-Backbone interact. energy: -0.143
local terms energy: -93.524114
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -173.520160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.520160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.520160 (E_RNA)
where:
Base-Base interactions energy: -86.154
where: short stacking energy: -48.908
Base-Backbone interact. energy: 0.385
local terms energy: -87.751144
where:
bonds (distance) C4'-P energy: -19.564
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -17.011
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: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -183.079246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.079246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.079246 (E_RNA)
where:
Base-Base interactions energy: -112.475
where: short stacking energy: -57.689
Base-Backbone interact. energy: -1.036
local terms energy: -69.568469
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -123.688891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.688891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.688891 (E_RNA)
where:
Base-Base interactions energy: -64.660
where: short stacking energy: -41.272
Base-Backbone interact. energy: -0.173
local terms energy: -58.855796
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -2.831
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: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -122.043793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.043793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.043793 (E_RNA)
where:
Base-Base interactions energy: -57.022
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.226
local terms energy: -64.795082
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: 7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -113.331419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.331419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.331419 (E_RNA)
where:
Base-Base interactions energy: -49.773
where: short stacking energy: -48.309
Base-Backbone interact. energy: -0.179
local terms energy: -63.379138
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -9.053
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: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -319.009153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.009153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.009153 (E_RNA)
where:
Base-Base interactions energy: -216.741
where: short stacking energy: -92.563
Base-Backbone interact. energy: 0.656
local terms energy: -102.924039
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -24.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -314.735200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.735200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.735200 (E_RNA)
where:
Base-Base interactions energy: -211.497
where: short stacking energy: -93.795
Base-Backbone interact. energy: -0.198
local terms energy: -103.040213
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -26.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -305.654187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.654187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.654187 (E_RNA)
where:
Base-Base interactions energy: -195.737
where: short stacking energy: -99.219
Base-Backbone interact. energy: -0.459
local terms energy: -109.458643
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -291.778308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.778308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.778308 (E_RNA)
where:
Base-Base interactions energy: -197.341
where: short stacking energy: -80.107
Base-Backbone interact. energy: -1.585
local terms energy: -92.852888
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -243.667322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.667322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.667322 (E_RNA)
where:
Base-Base interactions energy: -157.758
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.079
local terms energy: -85.830322
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -15.737
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: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -182.144916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.144916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.144916 (E_RNA)
where:
Base-Base interactions energy: -105.807
where: short stacking energy: -63.032
Base-Backbone interact. energy: -1.336
local terms energy: -75.002077
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -166.932360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.932360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.932360 (E_RNA)
where:
Base-Base interactions energy: -96.721
where: short stacking energy: -61.605
Base-Backbone interact. energy: -0.204
local terms energy: -70.007459
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -11.770
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: 379
Temperature: 1.250000
Total energy: -125.305878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.305878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.305878 (E_RNA)
where:
Base-Base interactions energy: -65.262
where: short stacking energy: -34.553
Base-Backbone interact. energy: -1.556
local terms energy: -58.488205
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -125.435509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.435509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.435509 (E_RNA)
where:
Base-Base interactions energy: -67.563
where: short stacking energy: -38.540
Base-Backbone interact. energy: -0.936
local terms energy: -56.936317
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -101.822880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.822880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.822880 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -33.529
Base-Backbone interact. energy: 1.210
local terms energy: -66.898785
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: 1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -329.672122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.672122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.672122 (E_RNA)
where:
Base-Base interactions energy: -226.035
where: short stacking energy: -100.043
Base-Backbone interact. energy: -0.599
local terms energy: -103.037759
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -27.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -324.382431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.382431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.382431 (E_RNA)
where:
Base-Base interactions energy: -223.005
where: short stacking energy: -96.941
Base-Backbone interact. energy: -0.230
local terms energy: -101.147122
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -309.039756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.039756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.039756 (E_RNA)
where:
Base-Base interactions energy: -204.913
where: short stacking energy: -92.619
Base-Backbone interact. energy: -0.185
local terms energy: -103.941205
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -27.125
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: 380
Temperature: 1.050000
Total energy: -290.248463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.248463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.248463 (E_RNA)
where:
Base-Base interactions energy: -204.871
where: short stacking energy: -86.452
Base-Backbone interact. energy: -1.469
local terms energy: -83.908269
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -226.012916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.012916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.012916 (E_RNA)
where:
Base-Base interactions energy: -135.231
where: short stacking energy: -67.173
Base-Backbone interact. energy: -0.309
local terms energy: -90.473131
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -167.557231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.557231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.557231 (E_RNA)
where:
Base-Base interactions energy: -92.865
where: short stacking energy: -55.806
Base-Backbone interact. energy: -1.165
local terms energy: -73.527940
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -156.760442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.760442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.760442 (E_RNA)
where:
Base-Base interactions energy: -71.282
where: short stacking energy: -50.294
Base-Backbone interact. energy: -0.429
local terms energy: -85.049034
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -12.999
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: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -109.960229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.960229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.960229 (E_RNA)
where:
Base-Base interactions energy: -57.337
where: short stacking energy: -27.813
Base-Backbone interact. energy: 0.925
local terms energy: -53.548687
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -11.153
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: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -117.936733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.936733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.936733 (E_RNA)
where:
Base-Base interactions energy: -46.626
where: short stacking energy: -30.565
Base-Backbone interact. energy: -0.775
local terms energy: -70.535628
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -105.647262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.647262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.647262 (E_RNA)
where:
Base-Base interactions energy: -42.413
where: short stacking energy: -34.484
Base-Backbone interact. energy: -0.591
local terms energy: -62.643744
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: 2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -326.471991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.471991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.471991 (E_RNA)
where:
Base-Base interactions energy: -220.251
where: short stacking energy: -88.752
Base-Backbone interact. energy: -0.646
local terms energy: -105.574916
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -319.460941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.460941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.460941 (E_RNA)
where:
Base-Base interactions energy: -216.222
where: short stacking energy: -95.273
Base-Backbone interact. energy: -0.205
local terms energy: -103.034361
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -298.820885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.820885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.820885 (E_RNA)
where:
Base-Base interactions energy: -203.725
where: short stacking energy: -93.269
Base-Backbone interact. energy: -0.713
local terms energy: -94.381964
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -24.481
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -295.732432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.732432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.732432 (E_RNA)
where:
Base-Base interactions energy: -200.254
where: short stacking energy: -90.371
Base-Backbone interact. energy: -1.795
local terms energy: -93.682668
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -20.380
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: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -248.839945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.839945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.839945 (E_RNA)
where:
Base-Base interactions energy: -151.229
where: short stacking energy: -82.324
Base-Backbone interact. energy: -0.104
local terms energy: -97.506995
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -25.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -167.463567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.463567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.463567 (E_RNA)
where:
Base-Base interactions energy: -85.678
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.248
local terms energy: -81.537396
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -13.731
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: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -157.657059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.657059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.657059 (E_RNA)
where:
Base-Base interactions energy: -78.606
where: short stacking energy: -53.796
Base-Backbone interact. energy: -0.068
local terms energy: -78.982405
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -121.986476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.986476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.986476 (E_RNA)
where:
Base-Base interactions energy: -50.756
where: short stacking energy: -40.590
Base-Backbone interact. energy: 0.355
local terms energy: -71.585863
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -106.519335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.519335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.519335 (E_RNA)
where:
Base-Base interactions energy: -48.788
where: short stacking energy: -35.811
Base-Backbone interact. energy: 0.074
local terms energy: -57.805592
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -8.382
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: 381
Temperature: 1.350000
Total energy: -123.436108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.436108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.436108 (E_RNA)
where:
Base-Base interactions energy: -55.958
where: short stacking energy: -41.776
Base-Backbone interact. energy: -0.486
local terms energy: -66.992299
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -311.128975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.128975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.128975 (E_RNA)
where:
Base-Base interactions energy: -211.808
where: short stacking energy: -92.053
Base-Backbone interact. energy: 0.450
local terms energy: -99.771009
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -25.149
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: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -314.333383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.333383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.333383 (E_RNA)
where:
Base-Base interactions energy: -200.632
where: short stacking energy: -92.193
Base-Backbone interact. energy: -0.200
local terms energy: -113.501036
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -23.195
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -28.789
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: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -310.307579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.307579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.307579 (E_RNA)
where:
Base-Base interactions energy: -213.659
where: short stacking energy: -84.175
Base-Backbone interact. energy: -0.119
local terms energy: -96.529453
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -307.611413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.611413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.611413 (E_RNA)
where:
Base-Base interactions energy: -198.144
where: short stacking energy: -97.994
Base-Backbone interact. energy: -0.098
local terms energy: -109.369016
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -28.685
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: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -224.961151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.961151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.961151 (E_RNA)
where:
Base-Base interactions energy: -145.057
where: short stacking energy: -73.203
Base-Backbone interact. energy: 0.236
local terms energy: -80.139523
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -14.798
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: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -175.003798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.003798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.003798 (E_RNA)
where:
Base-Base interactions energy: -98.523
where: short stacking energy: -61.999
Base-Backbone interact. energy: -0.143
local terms energy: -76.337116
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -122.645100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.645100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.645100 (E_RNA)
where:
Base-Base interactions energy: -52.540
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.379
local terms energy: -69.725840
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -12.870
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: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -156.781369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.781369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.781369 (E_RNA)
where:
Base-Base interactions energy: -84.277
where: short stacking energy: -54.492
Base-Backbone interact. energy: -1.437
local terms energy: -71.067665
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -113.929875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.929875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.929875 (E_RNA)
where:
Base-Base interactions energy: -55.105
where: short stacking energy: -33.361
Base-Backbone interact. energy: 1.355
local terms energy: -60.179853
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: 0.942
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: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -91.813623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.813623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.813623 (E_RNA)
where:
Base-Base interactions energy: -28.628
where: short stacking energy: -23.015
Base-Backbone interact. energy: 0.149
local terms energy: -63.333994
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: 3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -324.866515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.866515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.866515 (E_RNA)
where:
Base-Base interactions energy: -217.081
where: short stacking energy: -94.759
Base-Backbone interact. energy: 0.132
local terms energy: -107.917532
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -311.995073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.995073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.995073 (E_RNA)
where:
Base-Base interactions energy: -209.185
where: short stacking energy: -93.846
Base-Backbone interact. energy: -2.027
local terms energy: -100.783807
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -25.687
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: 383
Temperature: 1.000000
Total energy: -308.475234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.475234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.475234 (E_RNA)
where:
Base-Base interactions energy: -202.216
where: short stacking energy: -88.178
Base-Backbone interact. energy: -0.170
local terms energy: -106.089150
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -25.330
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -25.791
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: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -292.445676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.445676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.445676 (E_RNA)
where:
Base-Base interactions energy: -197.328
where: short stacking energy: -96.713
Base-Backbone interact. energy: -0.288
local terms energy: -94.829467
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -26.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -218.064254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.064254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.064254 (E_RNA)
where:
Base-Base interactions energy: -133.031
where: short stacking energy: -66.202
Base-Backbone interact. energy: -0.594
local terms energy: -84.439719
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -11.296
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: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -206.532871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.532871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.532871 (E_RNA)
where:
Base-Base interactions energy: -125.928
where: short stacking energy: -62.505
Base-Backbone interact. energy: -0.572
local terms energy: -80.032322
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -11.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -124.890606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.890606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.890606 (E_RNA)
where:
Base-Base interactions energy: -57.692
where: short stacking energy: -44.440
Base-Backbone interact. energy: -0.574
local terms energy: -66.624811
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -0.956
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: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -150.589917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.589917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.589917 (E_RNA)
where:
Base-Base interactions energy: -78.244
where: short stacking energy: -54.944
Base-Backbone interact. energy: -0.674
local terms energy: -71.672130
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -14.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -112.945860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.945860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.945860 (E_RNA)
where:
Base-Base interactions energy: -49.215
where: short stacking energy: -44.759
Base-Backbone interact. energy: -0.580
local terms energy: -63.150807
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -105.068431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.068431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.068431 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.204
local terms energy: -68.062944
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -11.922
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: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -319.257083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.257083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.257083 (E_RNA)
where:
Base-Base interactions energy: -220.977
where: short stacking energy: -96.813
Base-Backbone interact. energy: -1.244
local terms energy: -97.036446
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -24.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -320.196837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.196837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.196837 (E_RNA)
where:
Base-Base interactions energy: -218.726
where: short stacking energy: -83.272
Base-Backbone interact. energy: -0.189
local terms energy: -101.281804
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -28.288
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: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -310.391292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.391292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.391292 (E_RNA)
where:
Base-Base interactions energy: -217.945
where: short stacking energy: -95.834
Base-Backbone interact. energy: -1.009
local terms energy: -91.437067
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -12.666
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: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -284.120059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.120059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.120059 (E_RNA)
where:
Base-Base interactions energy: -185.154
where: short stacking energy: -90.878
Base-Backbone interact. energy: -0.184
local terms energy: -98.782453
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -25.468
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -234.087017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.087017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.087017 (E_RNA)
where:
Base-Base interactions energy: -158.302
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.857
local terms energy: -74.927764
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -219.243513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.243513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.243513 (E_RNA)
where:
Base-Base interactions energy: -130.407
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.055
local terms energy: -88.781573
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -118.020061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.020061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.020061 (E_RNA)
where:
Base-Base interactions energy: -50.612
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.194
local terms energy: -67.214340
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -8.587
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: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -145.176441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.176441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.176441 (E_RNA)
where:
Base-Base interactions energy: -67.943
where: short stacking energy: -45.520
Base-Backbone interact. energy: -0.768
local terms energy: -76.465763
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -13.812
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: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -101.321464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.321464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.321464 (E_RNA)
where:
Base-Base interactions energy: -42.689
where: short stacking energy: -35.859
Base-Backbone interact. energy: -0.258
local terms energy: -58.375136
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -3.107
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: 384
Temperature: 1.350000
Total energy: -104.218852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.218852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.218852 (E_RNA)
where:
Base-Base interactions energy: -41.878
where: short stacking energy: -41.878
Base-Backbone interact. energy: 0.058
local terms energy: -62.398943
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -297.263754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.263754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.263754 (E_RNA)
where:
Base-Base interactions energy: -200.352
where: short stacking energy: -87.338
Base-Backbone interact. energy: -0.608
local terms energy: -96.303807
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -312.799464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.799464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.799464 (E_RNA)
where:
Base-Base interactions energy: -210.144
where: short stacking energy: -96.309
Base-Backbone interact. energy: -0.129
local terms energy: -102.525834
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -307.470063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.470063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.470063 (E_RNA)
where:
Base-Base interactions energy: -210.211
where: short stacking energy: -103.971
Base-Backbone interact. energy: -0.182
local terms energy: -97.077564
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -27.857
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: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -287.940072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.940072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.940072 (E_RNA)
where:
Base-Base interactions energy: -188.702
where: short stacking energy: -78.276
Base-Backbone interact. energy: -1.598
local terms energy: -97.639860
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -214.432532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.432532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.432532 (E_RNA)
where:
Base-Base interactions energy: -121.949
where: short stacking energy: -63.692
Base-Backbone interact. energy: -0.620
local terms energy: -91.863096
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -213.230550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.230550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.230550 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.237
local terms energy: -84.950364
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -14.698
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: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -114.564811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.564811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.564811 (E_RNA)
where:
Base-Base interactions energy: -41.640
where: short stacking energy: -38.838
Base-Backbone interact. energy: -0.717
local terms energy: -72.208203
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -117.185843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.185843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.185843 (E_RNA)
where:
Base-Base interactions energy: -49.389
where: short stacking energy: -39.822
Base-Backbone interact. energy: 1.785
local terms energy: -69.581414
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -124.863768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.863768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.863768 (E_RNA)
where:
Base-Base interactions energy: -56.663
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.063
local terms energy: -68.137259
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -97.919306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.919306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.919306 (E_RNA)
where:
Base-Base interactions energy: -25.682
where: short stacking energy: -18.831
Base-Backbone interact. energy: -0.748
local terms energy: -71.488607
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -320.285043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.285043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.285043 (E_RNA)
where:
Base-Base interactions energy: -212.453
where: short stacking energy: -95.779
Base-Backbone interact. energy: -1.140
local terms energy: -106.691967
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -297.848397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.848397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.848397 (E_RNA)
where:
Base-Base interactions energy: -208.280
where: short stacking energy: -76.846
Base-Backbone interact. energy: -1.283
local terms energy: -88.285812
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -295.749686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.749686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.749686 (E_RNA)
where:
Base-Base interactions energy: -191.093
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.877
local terms energy: -103.780179
where:
bonds (distance) C4'-P energy: -22.169
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -26.538
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: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -299.627106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.627106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.627106 (E_RNA)
where:
Base-Base interactions energy: -197.801
where: short stacking energy: -79.194
Base-Backbone interact. energy: -0.217
local terms energy: -101.608293
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -24.806
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: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -227.497244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.497244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.497244 (E_RNA)
where:
Base-Base interactions energy: -137.207
where: short stacking energy: -69.150
Base-Backbone interact. energy: 0.851
local terms energy: -91.141188
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -10.763
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: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -215.915683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.915683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.915683 (E_RNA)
where:
Base-Base interactions energy: -140.370
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.344
local terms energy: -75.201798
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -117.725526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.725526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.725526 (E_RNA)
where:
Base-Base interactions energy: -50.832
where: short stacking energy: -48.194
Base-Backbone interact. energy: -1.444
local terms energy: -65.449678
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -4.746
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: 386
Temperature: 1.250000
Total energy: -125.511181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.511181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.511181 (E_RNA)
where:
Base-Base interactions energy: -43.357
where: short stacking energy: -43.357
Base-Backbone interact. energy: -0.082
local terms energy: -82.072022
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -114.199359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.199359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.199359 (E_RNA)
where:
Base-Base interactions energy: -43.139
where: short stacking energy: -36.196
Base-Backbone interact. energy: -0.075
local terms energy: -70.985551
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -10.648
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: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -102.354960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.354960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.354960 (E_RNA)
where:
Base-Base interactions energy: -46.371
where: short stacking energy: -38.971
Base-Backbone interact. energy: 0.868
local terms energy: -56.851897
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: 5.055
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: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -329.200443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.200443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.200443 (E_RNA)
where:
Base-Base interactions energy: -217.527
where: short stacking energy: -98.124
Base-Backbone interact. energy: -0.378
local terms energy: -111.296114
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -29.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -303.181388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.181388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.181388 (E_RNA)
where:
Base-Base interactions energy: -208.012
where: short stacking energy: -96.208
Base-Backbone interact. energy: -1.040
local terms energy: -94.129364
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -289.816033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.816033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.816033 (E_RNA)
where:
Base-Base interactions energy: -195.617
where: short stacking energy: -78.055
Base-Backbone interact. energy: -0.528
local terms energy: -93.670458
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -297.448968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.448968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.448968 (E_RNA)
where:
Base-Base interactions energy: -192.981
where: short stacking energy: -95.495
Base-Backbone interact. energy: -0.195
local terms energy: -104.273418
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -25.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -194.102313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.102313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.102313 (E_RNA)
where:
Base-Base interactions energy: -108.412
where: short stacking energy: -62.644
Base-Backbone interact. energy: -0.740
local terms energy: -84.950068
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -229.507567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.507567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.507567 (E_RNA)
where:
Base-Base interactions energy: -138.432
where: short stacking energy: -61.525
Base-Backbone interact. energy: -1.074
local terms energy: -90.000937
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -20.917
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -19.349
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: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -121.775870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.775870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.775870 (E_RNA)
where:
Base-Base interactions energy: -58.614
where: short stacking energy: -42.889
Base-Backbone interact. energy: -0.879
local terms energy: -62.283667
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -5.199
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: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -113.347431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.347431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.347431 (E_RNA)
where:
Base-Base interactions energy: -39.989
where: short stacking energy: -39.761
Base-Backbone interact. energy: -0.180
local terms energy: -73.177691
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -102.226108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.226108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.226108 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -27.614
Base-Backbone interact. energy: -0.583
local terms energy: -65.380133
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -128.499619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.499619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.499619 (E_RNA)
where:
Base-Base interactions energy: -58.163
where: short stacking energy: -49.986
Base-Backbone interact. energy: 1.804
local terms energy: -72.140705
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -8.877
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: 388
Temperature: 0.900000
Total energy: -332.450676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.450676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.450676 (E_RNA)
where:
Base-Base interactions energy: -230.766
where: short stacking energy: -99.832
Base-Backbone interact. energy: -0.240
local terms energy: -101.444912
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -27.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -304.222266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.222266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.222266 (E_RNA)
where:
Base-Base interactions energy: -199.351
where: short stacking energy: -86.145
Base-Backbone interact. energy: -0.631
local terms energy: -104.240188
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -26.169
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: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -297.911915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.911915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.911915 (E_RNA)
where:
Base-Base interactions energy: -193.388
where: short stacking energy: -89.843
Base-Backbone interact. energy: -0.744
local terms energy: -103.780212
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -22.408
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: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -287.667048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.667048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.667048 (E_RNA)
where:
Base-Base interactions energy: -192.516
where: short stacking energy: -85.784
Base-Backbone interact. energy: -1.072
local terms energy: -94.079658
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -248.633717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.633717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.633717 (E_RNA)
where:
Base-Base interactions energy: -161.998
where: short stacking energy: -77.315
Base-Backbone interact. energy: -0.398
local terms energy: -86.237648
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -176.420570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.420570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.420570 (E_RNA)
where:
Base-Base interactions energy: -92.194
where: short stacking energy: -56.620
Base-Backbone interact. energy: -0.160
local terms energy: -84.066015
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -148.187634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.187634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.187634 (E_RNA)
where:
Base-Base interactions energy: -60.953
where: short stacking energy: -60.953
Base-Backbone interact. energy: -0.082
local terms energy: -87.152684
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -5.123
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: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -128.044667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.044667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.044667 (E_RNA)
where:
Base-Base interactions energy: -51.672
where: short stacking energy: -45.997
Base-Backbone interact. energy: 0.004
local terms energy: -76.376340
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -110.482865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.482865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.482865 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.058
local terms energy: -74.475306
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -2.155
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: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -95.146083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.146083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.146083 (E_RNA)
where:
Base-Base interactions energy: -41.735
where: short stacking energy: -39.414
Base-Backbone interact. energy: 0.095
local terms energy: -53.506151
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: 2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -325.365254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.365254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.365254 (E_RNA)
where:
Base-Base interactions energy: -218.473
where: short stacking energy: -102.419
Base-Backbone interact. energy: -2.010
local terms energy: -104.881398
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -30.785
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: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -304.789782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.789782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.789782 (E_RNA)
where:
Base-Base interactions energy: -194.587
where: short stacking energy: -92.368
Base-Backbone interact. energy: -0.267
local terms energy: -109.936041
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -25.178
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: 389
Temperature: 1.000000
Total energy: -301.326147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.326147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.326147 (E_RNA)
where:
Base-Base interactions energy: -201.226
where: short stacking energy: -104.189
Base-Backbone interact. energy: -0.045
local terms energy: -100.054930
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -22.434
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -273.589002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.589002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.589002 (E_RNA)
where:
Base-Base interactions energy: -178.717
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.987
local terms energy: -93.884642
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -21.151
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: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -241.955838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.955838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.955838 (E_RNA)
where:
Base-Base interactions energy: -151.710
where: short stacking energy: -80.979
Base-Backbone interact. energy: -1.016
local terms energy: -89.230070
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -203.357199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.357199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.357199 (E_RNA)
where:
Base-Base interactions energy: -116.080
where: short stacking energy: -65.420
Base-Backbone interact. energy: -0.236
local terms energy: -87.040643
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -13.779
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: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -117.668838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.668838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.668838 (E_RNA)
where:
Base-Base interactions energy: -64.233
where: short stacking energy: -50.626
Base-Backbone interact. energy: -0.847
local terms energy: -52.589351
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -8.240
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -8.390
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: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -108.411118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.411118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.411118 (E_RNA)
where:
Base-Base interactions energy: -50.637
where: short stacking energy: -26.801
Base-Backbone interact. energy: 1.546
local terms energy: -59.320012
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: 2.405
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: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -111.887856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.887856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.887856 (E_RNA)
where:
Base-Base interactions energy: -43.882
where: short stacking energy: -43.882
Base-Backbone interact. energy: -0.151
local terms energy: -67.854896
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -6.623
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: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -114.163064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.163064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.163064 (E_RNA)
where:
Base-Base interactions energy: -47.619
where: short stacking energy: -30.797
Base-Backbone interact. energy: 0.493
local terms energy: -67.036913
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -325.560532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.560532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.560532 (E_RNA)
where:
Base-Base interactions energy: -223.625
where: short stacking energy: -96.070
Base-Backbone interact. energy: -0.220
local terms energy: -101.714918
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -28.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -302.872249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.872249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.872249 (E_RNA)
where:
Base-Base interactions energy: -196.290
where: short stacking energy: -102.151
Base-Backbone interact. energy: 0.393
local terms energy: -106.975166
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -30.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -301.939232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.939232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.939232 (E_RNA)
where:
Base-Base interactions energy: -201.248
where: short stacking energy: -84.058
Base-Backbone interact. energy: -0.444
local terms energy: -100.248038
where:
bonds (distance) C4'-P energy: -20.876
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -26.956
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: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -282.968632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.968632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.968632 (E_RNA)
where:
Base-Base interactions energy: -193.062
where: short stacking energy: -84.029
Base-Backbone interact. energy: -0.829
local terms energy: -89.076907
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -23.778
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -218.879906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.879906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.879906 (E_RNA)
where:
Base-Base interactions energy: -124.090
where: short stacking energy: -64.782
Base-Backbone interact. energy: -1.460
local terms energy: -93.329170
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -230.286485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.286485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.286485 (E_RNA)
where:
Base-Base interactions energy: -146.340
where: short stacking energy: -68.628
Base-Backbone interact. energy: -0.093
local terms energy: -83.854026
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -8.185
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: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -115.436338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.436338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.436338 (E_RNA)
where:
Base-Base interactions energy: -46.236
where: short stacking energy: -42.560
Base-Backbone interact. energy: -0.078
local terms energy: -69.122051
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -117.234060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.234060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.234060 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -34.832
Base-Backbone interact. energy: -0.917
local terms energy: -78.354475
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -107.729266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.729266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.729266 (E_RNA)
where:
Base-Base interactions energy: -47.961
where: short stacking energy: -42.806
Base-Backbone interact. energy: 1.718
local terms energy: -61.486234
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -109.222066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.222066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.222066 (E_RNA)
where:
Base-Base interactions energy: -38.036
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.181
local terms energy: -71.005812
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -8.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -335.630157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.630157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.630157 (E_RNA)
where:
Base-Base interactions energy: -227.824
where: short stacking energy: -96.340
Base-Backbone interact. energy: -0.330
local terms energy: -107.476902
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -29.149
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: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -308.624323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.624323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.624323 (E_RNA)
where:
Base-Base interactions energy: -205.271
where: short stacking energy: -96.802
Base-Backbone interact. energy: -0.148
local terms energy: -103.205245
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -16.164
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: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -296.107899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.107899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.107899 (E_RNA)
where:
Base-Base interactions energy: -186.689
where: short stacking energy: -92.683
Base-Backbone interact. energy: -0.293
local terms energy: -109.125339
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -28.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -287.347031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.347031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.347031 (E_RNA)
where:
Base-Base interactions energy: -191.975
where: short stacking energy: -85.392
Base-Backbone interact. energy: 1.844
local terms energy: -97.216102
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -197.927638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.927638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.927638 (E_RNA)
where:
Base-Base interactions energy: -111.554
where: short stacking energy: -65.402
Base-Backbone interact. energy: 0.450
local terms energy: -86.824018
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -12.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -228.507638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.507638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.507638 (E_RNA)
where:
Base-Base interactions energy: -150.201
where: short stacking energy: -75.169
Base-Backbone interact. energy: 1.715
local terms energy: -80.021679
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -132.242472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.242472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.242472 (E_RNA)
where:
Base-Base interactions energy: -50.601
where: short stacking energy: -48.885
Base-Backbone interact. energy: 2.400
local terms energy: -84.041676
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -118.753699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.753699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.753699 (E_RNA)
where:
Base-Base interactions energy: -55.026
where: short stacking energy: -45.489
Base-Backbone interact. energy: -0.217
local terms energy: -63.510174
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -102.509086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.509086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.509086 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -30.438
Base-Backbone interact. energy: 0.721
local terms energy: -70.551642
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: 0.423
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: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -105.969935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.969935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.969935 (E_RNA)
where:
Base-Base interactions energy: -42.966
where: short stacking energy: -41.773
Base-Backbone interact. energy: -1.525
local terms energy: -61.478200
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -320.474779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.474779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.474779 (E_RNA)
where:
Base-Base interactions energy: -212.239
where: short stacking energy: -97.311
Base-Backbone interact. energy: -0.185
local terms energy: -108.051136
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -27.132
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: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -301.269073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.269073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.269073 (E_RNA)
where:
Base-Base interactions energy: -209.342
where: short stacking energy: -93.711
Base-Backbone interact. energy: -0.152
local terms energy: -91.775140
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -289.044694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.044694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.044694 (E_RNA)
where:
Base-Base interactions energy: -178.904
where: short stacking energy: -86.185
Base-Backbone interact. energy: -0.361
local terms energy: -109.780526
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -28.568
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: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -288.101826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.101826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.101826 (E_RNA)
where:
Base-Base interactions energy: -198.990
where: short stacking energy: -88.432
Base-Backbone interact. energy: -0.197
local terms energy: -88.914374
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -20.303
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: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -234.688545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.688545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.688545 (E_RNA)
where:
Base-Base interactions energy: -145.227
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.918
local terms energy: -88.543494
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -18.080
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -199.038457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.038457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.038457 (E_RNA)
where:
Base-Base interactions energy: -109.765
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.409
local terms energy: -88.864839
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -137.800491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.800491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.800491 (E_RNA)
where:
Base-Base interactions energy: -67.153
where: short stacking energy: -31.770
Base-Backbone interact. energy: 1.492
local terms energy: -72.139874
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -4.392
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: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -148.287166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.287166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.287166 (E_RNA)
where:
Base-Base interactions energy: -73.510
where: short stacking energy: -42.654
Base-Backbone interact. energy: -0.757
local terms energy: -74.021033
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -8.348
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: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -113.768747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.768747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.768747 (E_RNA)
where:
Base-Base interactions energy: -40.321
where: short stacking energy: -40.321
Base-Backbone interact. energy: 1.866
local terms energy: -75.312992
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -100.862236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.862236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.862236 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -30.878
Base-Backbone interact. energy: -0.153
local terms energy: -67.587525
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -326.331639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.331639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.331639 (E_RNA)
where:
Base-Base interactions energy: -216.725
where: short stacking energy: -96.292
Base-Backbone interact. energy: -1.322
local terms energy: -108.285181
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -26.924
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: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -321.250117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.250117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.250117 (E_RNA)
where:
Base-Base interactions energy: -221.860
where: short stacking energy: -95.630
Base-Backbone interact. energy: -0.116
local terms energy: -99.273713
where:
bonds (distance) C4'-P energy: -22.036
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -28.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -284.392000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.392000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.392000 (E_RNA)
where:
Base-Base interactions energy: -179.475
where: short stacking energy: -78.797
Base-Backbone interact. energy: -0.523
local terms energy: -104.394200
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -271.968599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.968599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.968599 (E_RNA)
where:
Base-Base interactions energy: -182.410
where: short stacking energy: -82.090
Base-Backbone interact. energy: 2.099
local terms energy: -91.657589
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -21.609
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: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -243.141388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.141388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.141388 (E_RNA)
where:
Base-Base interactions energy: -150.423
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.276
local terms energy: -92.442486
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -192.202086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.202086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.202086 (E_RNA)
where:
Base-Base interactions energy: -115.332
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.591
local terms energy: -76.278497
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -147.865471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.865471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.865471 (E_RNA)
where:
Base-Base interactions energy: -74.044
where: short stacking energy: -49.038
Base-Backbone interact. energy: -0.061
local terms energy: -73.760491
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -133.965624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.965624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.965624 (E_RNA)
where:
Base-Base interactions energy: -71.130
where: short stacking energy: -45.746
Base-Backbone interact. energy: -0.169
local terms energy: -62.666331
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -115.430648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.430648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.430648 (E_RNA)
where:
Base-Base interactions energy: -56.011
where: short stacking energy: -55.925
Base-Backbone interact. energy: -0.026
local terms energy: -59.393859
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -7.833
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -4.910
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: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -99.822467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.822467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.822467 (E_RNA)
where:
Base-Base interactions energy: -41.563
where: short stacking energy: -35.542
Base-Backbone interact. energy: 1.598
local terms energy: -59.858015
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: 0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -293.592975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.592975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.592975 (E_RNA)
where:
Base-Base interactions energy: -197.215
where: short stacking energy: -92.668
Base-Backbone interact. energy: -0.096
local terms energy: -96.281925
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -23.969
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -324.323652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.323652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.323652 (E_RNA)
where:
Base-Base interactions energy: -217.387
where: short stacking energy: -95.290
Base-Backbone interact. energy: -0.331
local terms energy: -106.606216
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -301.856181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.856181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.856181 (E_RNA)
where:
Base-Base interactions energy: -208.049
where: short stacking energy: -95.675
Base-Backbone interact. energy: 0.168
local terms energy: -93.974876
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -292.342268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.342268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.342268 (E_RNA)
where:
Base-Base interactions energy: -189.772
where: short stacking energy: -85.142
Base-Backbone interact. energy: -1.115
local terms energy: -101.454862
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -12.565
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: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -218.769299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.769299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.769299 (E_RNA)
where:
Base-Base interactions energy: -127.409
where: short stacking energy: -72.138
Base-Backbone interact. energy: 0.032
local terms energy: -91.393047
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -172.162412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.162412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.162412 (E_RNA)
where:
Base-Base interactions energy: -87.297
where: short stacking energy: -48.296
Base-Backbone interact. energy: -0.194
local terms energy: -84.670784
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -124.074372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.074372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.074372 (E_RNA)
where:
Base-Base interactions energy: -46.906
where: short stacking energy: -46.465
Base-Backbone interact. energy: 0.328
local terms energy: -77.495539
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -131.135483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.135483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.135483 (E_RNA)
where:
Base-Base interactions energy: -55.724
where: short stacking energy: -41.173
Base-Backbone interact. energy: -0.397
local terms energy: -75.014740
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -120.712842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.712842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.712842 (E_RNA)
where:
Base-Base interactions energy: -53.400
where: short stacking energy: -42.743
Base-Backbone interact. energy: -1.203
local terms energy: -66.109813
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -104.017365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.017365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.017365 (E_RNA)
where:
Base-Base interactions energy: -46.090
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.333
local terms energy: -57.594409
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: 1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -305.875001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.875001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.875001 (E_RNA)
where:
Base-Base interactions energy: -204.610
where: short stacking energy: -89.057
Base-Backbone interact. energy: -0.928
local terms energy: -100.336482
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -24.501
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: 395
Temperature: 0.950000
Total energy: -328.487718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.487718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.487718 (E_RNA)
where:
Base-Base interactions energy: -219.001
where: short stacking energy: -93.146
Base-Backbone interact. energy: -0.511
local terms energy: -108.976190
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -27.504
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: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -295.765211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.765211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.765211 (E_RNA)
where:
Base-Base interactions energy: -193.513
where: short stacking energy: -85.159
Base-Backbone interact. energy: -0.165
local terms energy: -102.087626
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -295.412392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.412392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.412392 (E_RNA)
where:
Base-Base interactions energy: -210.044
where: short stacking energy: -87.138
Base-Backbone interact. energy: -1.132
local terms energy: -84.236249
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -14.014
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: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -216.605638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.605638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.605638 (E_RNA)
where:
Base-Base interactions energy: -126.322
where: short stacking energy: -64.358
Base-Backbone interact. energy: -0.065
local terms energy: -90.218886
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -18.125
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: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -176.988529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.988529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988529 (E_RNA)
where:
Base-Base interactions energy: -98.692
where: short stacking energy: -54.962
Base-Backbone interact. energy: -0.210
local terms energy: -78.086116
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -113.707112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.707112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.707112 (E_RNA)
where:
Base-Base interactions energy: -46.390
where: short stacking energy: -43.440
Base-Backbone interact. energy: -0.092
local terms energy: -67.224841
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -118.688778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.688778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.688778 (E_RNA)
where:
Base-Base interactions energy: -39.436
where: short stacking energy: -38.271
Base-Backbone interact. energy: -0.029
local terms energy: -79.223819
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -4.082
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: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -105.878567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.878567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.878567 (E_RNA)
where:
Base-Base interactions energy: -41.233
where: short stacking energy: -38.542
Base-Backbone interact. energy: 0.197
local terms energy: -64.841986
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -98.867605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.867605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.867605 (E_RNA)
where:
Base-Base interactions energy: -28.792
where: short stacking energy: -28.563
Base-Backbone interact. energy: -0.594
local terms energy: -69.482184
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -325.670799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.670799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.670799 (E_RNA)
where:
Base-Base interactions energy: -215.897
where: short stacking energy: -94.936
Base-Backbone interact. energy: -0.177
local terms energy: -109.597158
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -312.896972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.896972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.896972 (E_RNA)
where:
Base-Base interactions energy: -210.476
where: short stacking energy: -93.300
Base-Backbone interact. energy: -0.193
local terms energy: -102.228259
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -291.372017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.372017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.372017 (E_RNA)
where:
Base-Base interactions energy: -186.679
where: short stacking energy: -89.007
Base-Backbone interact. energy: -0.721
local terms energy: -103.972631
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -278.783480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.783480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.783480 (E_RNA)
where:
Base-Base interactions energy: -189.183
where: short stacking energy: -84.892
Base-Backbone interact. energy: -1.643
local terms energy: -87.957290
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -24.110
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: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -219.345737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.345737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.345737 (E_RNA)
where:
Base-Base interactions energy: -126.976
where: short stacking energy: -65.208
Base-Backbone interact. energy: 1.102
local terms energy: -93.470897
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -21.687
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: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -184.321570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.321570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.321570 (E_RNA)
where:
Base-Base interactions energy: -108.308
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.170
local terms energy: -75.843938
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -9.499
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: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -123.955906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.955906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.955906 (E_RNA)
where:
Base-Base interactions energy: -52.539
where: short stacking energy: -23.054
Base-Backbone interact. energy: 0.941
local terms energy: -72.357950
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: 4.567
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: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -123.811167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.811167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.811167 (E_RNA)
where:
Base-Base interactions energy: -52.251
where: short stacking energy: -44.902
Base-Backbone interact. energy: 0.072
local terms energy: -71.631922
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -2.694
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: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -127.593083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.593083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.593083 (E_RNA)
where:
Base-Base interactions energy: -49.879
where: short stacking energy: -48.074
Base-Backbone interact. energy: -0.273
local terms energy: -77.441036
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -107.931153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.931153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.931153 (E_RNA)
where:
Base-Base interactions energy: -46.169
where: short stacking energy: -45.548
Base-Backbone interact. energy: -0.125
local terms energy: -61.637717
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -333.910074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.910074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.910074 (E_RNA)
where:
Base-Base interactions energy: -222.224
where: short stacking energy: -92.704
Base-Backbone interact. energy: -0.230
local terms energy: -111.456239
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -28.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -293.910677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.910677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.910677 (E_RNA)
where:
Base-Base interactions energy: -205.127
where: short stacking energy: -91.283
Base-Backbone interact. energy: -0.215
local terms energy: -88.568336
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -21.392
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: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -302.170064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.170064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.170064 (E_RNA)
where:
Base-Base interactions energy: -196.695
where: short stacking energy: -82.949
Base-Backbone interact. energy: -0.138
local terms energy: -105.336677
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -289.693079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.693079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.693079 (E_RNA)
where:
Base-Base interactions energy: -196.655
where: short stacking energy: -72.185
Base-Backbone interact. energy: -0.335
local terms energy: -92.702795
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -19.597
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: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -229.840977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.840977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.840977 (E_RNA)
where:
Base-Base interactions energy: -144.866
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.264
local terms energy: -84.710900
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -190.421776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.421776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.421776 (E_RNA)
where:
Base-Base interactions energy: -97.590
where: short stacking energy: -55.641
Base-Backbone interact. energy: -0.095
local terms energy: -92.736573
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -14.995
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: 397
Temperature: 1.200000
Total energy: -119.178789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.178789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.178789 (E_RNA)
where:
Base-Base interactions energy: -49.054
where: short stacking energy: -45.088
Base-Backbone interact. energy: -0.769
local terms energy: -69.356050
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -0.094
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: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -128.066218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.066218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.066218 (E_RNA)
where:
Base-Base interactions energy: -48.733
where: short stacking energy: -49.354
Base-Backbone interact. energy: -0.072
local terms energy: -79.260932
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -8.357
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: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -99.970408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.970408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.970408 (E_RNA)
where:
Base-Base interactions energy: -31.995
where: short stacking energy: -26.169
Base-Backbone interact. energy: -0.387
local terms energy: -67.588115
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: 1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -102.372054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.372054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.372054 (E_RNA)
where:
Base-Base interactions energy: -39.852
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.283
local terms energy: -62.237330
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: 4.369
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: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -325.307574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.307574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.307574 (E_RNA)
where:
Base-Base interactions energy: -217.634
where: short stacking energy: -94.766
Base-Backbone interact. energy: 1.055
local terms energy: -108.729378
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -26.075
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -294.672051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.672051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.672051 (E_RNA)
where:
Base-Base interactions energy: -196.600
where: short stacking energy: -78.487
Base-Backbone interact. energy: 0.481
local terms energy: -98.553409
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -319.096511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.096511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.096511 (E_RNA)
where:
Base-Base interactions energy: -219.438
where: short stacking energy: -96.849
Base-Backbone interact. energy: -0.278
local terms energy: -99.379960
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -24.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -293.984253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.984253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.984253 (E_RNA)
where:
Base-Base interactions energy: -197.051
where: short stacking energy: -83.429
Base-Backbone interact. energy: -0.360
local terms energy: -96.573353
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -240.950526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.950526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.950526 (E_RNA)
where:
Base-Base interactions energy: -148.982
where: short stacking energy: -81.826
Base-Backbone interact. energy: -0.091
local terms energy: -91.878104
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -25.143
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: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -184.017526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.017526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.017526 (E_RNA)
where:
Base-Base interactions energy: -99.330
where: short stacking energy: -63.416
Base-Backbone interact. energy: -1.442
local terms energy: -83.245414
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -123.128477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.128477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.128477 (E_RNA)
where:
Base-Base interactions energy: -59.745
where: short stacking energy: -38.721
Base-Backbone interact. energy: -0.964
local terms energy: -62.419134
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -119.335315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.335315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.335315 (E_RNA)
where:
Base-Base interactions energy: -52.856
where: short stacking energy: -35.891
Base-Backbone interact. energy: -0.240
local terms energy: -66.239766
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -100.700601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.700601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.700601 (E_RNA)
where:
Base-Base interactions energy: -35.057
where: short stacking energy: -33.744
Base-Backbone interact. energy: -0.150
local terms energy: -65.493112
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -98.211399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211399 (E_RNA)
where:
Base-Base interactions energy: -34.814
where: short stacking energy: -24.190
Base-Backbone interact. energy: -0.768
local terms energy: -62.629410
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: 2.448
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: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -327.926283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.926283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.926283 (E_RNA)
where:
Base-Base interactions energy: -218.990
where: short stacking energy: -94.342
Base-Backbone interact. energy: -0.186
local terms energy: -108.750065
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -27.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -306.648601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.648601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.648601 (E_RNA)
where:
Base-Base interactions energy: -197.704
where: short stacking energy: -85.370
Base-Backbone interact. energy: -0.250
local terms energy: -108.694597
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -27.169
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: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -326.768777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.768777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.768777 (E_RNA)
where:
Base-Base interactions energy: -225.220
where: short stacking energy: -96.404
Base-Backbone interact. energy: -0.108
local terms energy: -101.440315
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -28.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -297.589433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.589433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.589433 (E_RNA)
where:
Base-Base interactions energy: -203.732
where: short stacking energy: -90.974
Base-Backbone interact. energy: -0.842
local terms energy: -93.014865
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -23.692
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: 399
Temperature: 1.100000
Total energy: -232.588801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.588801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.588801 (E_RNA)
where:
Base-Base interactions energy: -137.264
where: short stacking energy: -74.653
Base-Backbone interact. energy: 0.133
local terms energy: -95.457439
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -15.606
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: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -162.187483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.187483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.187483 (E_RNA)
where:
Base-Base interactions energy: -83.911
where: short stacking energy: -58.531
Base-Backbone interact. energy: -0.543
local terms energy: -77.733875
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -114.415847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.415847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.415847 (E_RNA)
where:
Base-Base interactions energy: -44.803
where: short stacking energy: -43.314
Base-Backbone interact. energy: 0.455
local terms energy: -70.067618
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -117.866369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.866369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.866369 (E_RNA)
where:
Base-Base interactions energy: -48.615
where: short stacking energy: -44.676
Base-Backbone interact. energy: -0.150
local terms energy: -69.102157
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -6.310
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: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -104.720743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.720743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.720743 (E_RNA)
where:
Base-Base interactions energy: -45.093
where: short stacking energy: -42.279
Base-Backbone interact. energy: -0.447
local terms energy: -59.180531
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -107.976234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.976234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.976234 (E_RNA)
where:
Base-Base interactions energy: -43.110
where: short stacking energy: -22.818
Base-Backbone interact. energy: 0.394
local terms energy: -65.261041
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -327.900205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.900205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.900205 (E_RNA)
where:
Base-Base interactions energy: -215.640
where: short stacking energy: -104.432
Base-Backbone interact. energy: -1.099
local terms energy: -111.161353
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -28.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -310.995741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.995741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.995741 (E_RNA)
where:
Base-Base interactions energy: -202.784
where: short stacking energy: -85.281
Base-Backbone interact. energy: -0.337
local terms energy: -107.874655
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -315.274084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.274084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.274084 (E_RNA)
where:
Base-Base interactions energy: -214.650
where: short stacking energy: -93.483
Base-Backbone interact. energy: 0.903
local terms energy: -101.527659
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -296.864283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.864283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.864283 (E_RNA)
where:
Base-Base interactions energy: -200.466
where: short stacking energy: -85.323
Base-Backbone interact. energy: -0.982
local terms energy: -95.416399
where:
bonds (distance) C4'-P energy: -21.758
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -22.318
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: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -243.374368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.374368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.374368 (E_RNA)
where:
Base-Base interactions energy: -158.540
where: short stacking energy: -83.698
Base-Backbone interact. energy: 1.164
local terms energy: -85.997556
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -8.516
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -20.485
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: 400
Temperature: 1.150000
Total energy: -182.725849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.725849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.725849 (E_RNA)
where:
Base-Base interactions energy: -107.014
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.201
local terms energy: -75.510757
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -12.855
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: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -135.482274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.482274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.482274 (E_RNA)
where:
Base-Base interactions energy: -54.371
where: short stacking energy: -51.517
Base-Backbone interact. energy: -0.145
local terms energy: -80.965857
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -120.850719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.850719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.850719 (E_RNA)
where:
Base-Base interactions energy: -59.675
where: short stacking energy: -51.053
Base-Backbone interact. energy: 1.086
local terms energy: -62.261114
where:
bonds (distance) C4'-P energy: -22.587
bonds (distance) P-C4' energy: -7.897
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -6.201
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: 400
Temperature: 1.300000
Total energy: -120.246921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.246921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.246921 (E_RNA)
where:
Base-Base interactions energy: -55.847
where: short stacking energy: -35.701
Base-Backbone interact. energy: -0.730
local terms energy: -63.670508
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -8.371
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: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -101.781987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.781987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.781987 (E_RNA)
where:
Base-Base interactions energy: -37.307
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.358
local terms energy: -64.116978
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -318.726606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.726606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.726606 (E_RNA)
where:
Base-Base interactions energy: -217.589
where: short stacking energy: -93.804
Base-Backbone interact. energy: -0.508
local terms energy: -100.629428
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -28.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -328.460457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.460457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.460457 (E_RNA)
where:
Base-Base interactions energy: -220.883
where: short stacking energy: -88.679
Base-Backbone interact. energy: 0.714
local terms energy: -108.290761
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -320.290208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.290208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.290208 (E_RNA)
where:
Base-Base interactions energy: -217.705
where: short stacking energy: -97.102
Base-Backbone interact. energy: -0.208
local terms energy: -102.376725
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -24.338
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -27.136
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: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -299.436560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.436560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.436560 (E_RNA)
where:
Base-Base interactions energy: -213.324
where: short stacking energy: -86.828
Base-Backbone interact. energy: -0.040
local terms energy: -86.072658
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -19.837
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: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -234.091223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.091223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.091223 (E_RNA)
where:
Base-Base interactions energy: -147.058
where: short stacking energy: -74.204
Base-Backbone interact. energy: -0.257
local terms energy: -86.777108
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -22.213
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: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -181.686675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.686675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.686675 (E_RNA)
where:
Base-Base interactions energy: -100.945
where: short stacking energy: -63.406
Base-Backbone interact. energy: -1.330
local terms energy: -79.411503
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -125.816190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.816190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.816190 (E_RNA)
where:
Base-Base interactions energy: -55.722
where: short stacking energy: -51.597
Base-Backbone interact. energy: -0.213
local terms energy: -69.881390
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -115.754989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.754989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.754989 (E_RNA)
where:
Base-Base interactions energy: -54.585
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.791
local terms energy: -60.378486
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: 2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -116.124264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.124264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.124264 (E_RNA)
where:
Base-Base interactions energy: -52.280
where: short stacking energy: -49.710
Base-Backbone interact. energy: -0.312
local terms energy: -63.532446
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -103.505681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.505681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.505681 (E_RNA)
where:
Base-Base interactions energy: -37.818
where: short stacking energy: -24.739
Base-Backbone interact. energy: -0.748
local terms energy: -64.939245
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: 0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -330.029776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.029776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.029776 (E_RNA)
where:
Base-Base interactions energy: -220.934
where: short stacking energy: -97.797
Base-Backbone interact. energy: 0.994
local terms energy: -110.089060
where:
bonds (distance) C4'-P energy: -23.596
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -24.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -321.630874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.630874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.630874 (E_RNA)
where:
Base-Base interactions energy: -215.459
where: short stacking energy: -99.951
Base-Backbone interact. energy: -1.288
local terms energy: -104.884124
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -28.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -296.219847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.219847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.219847 (E_RNA)
where:
Base-Base interactions energy: -203.515
where: short stacking energy: -83.442
Base-Backbone interact. energy: -0.722
local terms energy: -91.983571
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -23.041
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: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -292.728191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.728191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.728191 (E_RNA)
where:
Base-Base interactions energy: -192.295
where: short stacking energy: -87.186
Base-Backbone interact. energy: -0.998
local terms energy: -99.435725
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -19.014
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: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -226.239619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.239619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.239619 (E_RNA)
where:
Base-Base interactions energy: -150.516
where: short stacking energy: -75.871
Base-Backbone interact. energy: -0.964
local terms energy: -74.759569
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -206.401899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.401899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.401899 (E_RNA)
where:
Base-Base interactions energy: -131.392
where: short stacking energy: -51.855
Base-Backbone interact. energy: -0.139
local terms energy: -74.870295
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.239
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: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -117.104835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.104835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.104835 (E_RNA)
where:
Base-Base interactions energy: -48.124
where: short stacking energy: -38.339
Base-Backbone interact. energy: -0.195
local terms energy: -68.785799
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: 0.618
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: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -119.027790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.027790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.027790 (E_RNA)
where:
Base-Base interactions energy: -46.676
where: short stacking energy: -42.454
Base-Backbone interact. energy: -0.278
local terms energy: -72.072929
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -113.225880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.225880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.225880 (E_RNA)
where:
Base-Base interactions energy: -44.542
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.936
local terms energy: -67.748311
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -106.963264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.963264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.963264 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.274
local terms energy: -70.455024
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: 2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -317.964955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.964955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.964955 (E_RNA)
where:
Base-Base interactions energy: -204.645
where: short stacking energy: -94.201
Base-Backbone interact. energy: 0.796
local terms energy: -114.116303
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -27.049
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: 403
Temperature: 0.950000
Total energy: -308.037926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.037926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.037926 (E_RNA)
where:
Base-Base interactions energy: -207.298
where: short stacking energy: -80.812
Base-Backbone interact. energy: -0.814
local terms energy: -99.926219
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -308.301468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.301468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.301468 (E_RNA)
where:
Base-Base interactions energy: -209.776
where: short stacking energy: -90.071
Base-Backbone interact. energy: -0.052
local terms energy: -98.473270
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -25.041
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: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -300.688427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.688427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.688427 (E_RNA)
where:
Base-Base interactions energy: -207.376
where: short stacking energy: -81.999
Base-Backbone interact. energy: -1.385
local terms energy: -91.926737
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -207.678470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.678470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.678470 (E_RNA)
where:
Base-Base interactions energy: -115.618
where: short stacking energy: -60.946
Base-Backbone interact. energy: -0.185
local terms energy: -91.875656
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -223.596074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.596074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.596074 (E_RNA)
where:
Base-Base interactions energy: -134.038
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.143
local terms energy: -89.415511
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -17.706
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: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -139.016515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.016515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.016515 (E_RNA)
where:
Base-Base interactions energy: -71.753
where: short stacking energy: -34.369
Base-Backbone interact. energy: 0.709
local terms energy: -67.972574
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -131.502967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.502967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.502967 (E_RNA)
where:
Base-Base interactions energy: -63.683
where: short stacking energy: -37.232
Base-Backbone interact. energy: 0.539
local terms energy: -68.358916
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -3.345
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: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -112.339658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.339658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.339658 (E_RNA)
where:
Base-Base interactions energy: -53.220
where: short stacking energy: -33.442
Base-Backbone interact. energy: -0.541
local terms energy: -58.578873
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -116.518972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.518972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.518972 (E_RNA)
where:
Base-Base interactions energy: -50.849
where: short stacking energy: -41.528
Base-Backbone interact. energy: -0.129
local terms energy: -65.541544
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -317.030811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.030811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.030811 (E_RNA)
where:
Base-Base interactions energy: -207.237
where: short stacking energy: -95.038
Base-Backbone interact. energy: -0.417
local terms energy: -109.376989
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -307.333047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.333047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.333047 (E_RNA)
where:
Base-Base interactions energy: -214.833
where: short stacking energy: -92.931
Base-Backbone interact. energy: -1.533
local terms energy: -90.967112
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -23.837
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: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -306.543764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.543764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.543764 (E_RNA)
where:
Base-Base interactions energy: -208.606
where: short stacking energy: -93.442
Base-Backbone interact. energy: 3.729
local terms energy: -101.667245
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -26.600
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: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -300.773047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.773047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.773047 (E_RNA)
where:
Base-Base interactions energy: -195.263
where: short stacking energy: -90.368
Base-Backbone interact. energy: -0.291
local terms energy: -105.218627
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -25.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -233.796153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.796153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.796153 (E_RNA)
where:
Base-Base interactions energy: -150.676
where: short stacking energy: -73.794
Base-Backbone interact. energy: -0.529
local terms energy: -82.590340
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -186.686001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.686001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.686001 (E_RNA)
where:
Base-Base interactions energy: -99.648
where: short stacking energy: -56.741
Base-Backbone interact. energy: -0.390
local terms energy: -86.648080
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -141.673272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.673272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.673272 (E_RNA)
where:
Base-Base interactions energy: -68.638
where: short stacking energy: -51.750
Base-Backbone interact. energy: -0.192
local terms energy: -72.842876
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -118.479811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.479811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.479811 (E_RNA)
where:
Base-Base interactions energy: -49.447
where: short stacking energy: -49.447
Base-Backbone interact. energy: -0.035
local terms energy: -68.997650
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -117.595334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.595334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.595334 (E_RNA)
where:
Base-Base interactions energy: -42.995
where: short stacking energy: -36.926
Base-Backbone interact. energy: 0.093
local terms energy: -74.692474
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -98.248088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.248088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.248088 (E_RNA)
where:
Base-Base interactions energy: -46.788
where: short stacking energy: -18.264
Base-Backbone interact. energy: -0.693
local terms energy: -50.767104
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: 11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -324.794362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.794362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.794362 (E_RNA)
where:
Base-Base interactions energy: -220.423
where: short stacking energy: -92.756
Base-Backbone interact. energy: -0.228
local terms energy: -104.143092
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -320.537359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.537359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.537359 (E_RNA)
where:
Base-Base interactions energy: -217.620
where: short stacking energy: -94.257
Base-Backbone interact. energy: -0.686
local terms energy: -102.231157
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -29.111
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: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -306.644579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.644579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.644579 (E_RNA)
where:
Base-Base interactions energy: -210.465
where: short stacking energy: -89.852
Base-Backbone interact. energy: -1.236
local terms energy: -94.943574
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -23.734
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -248.774936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.774936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.774936 (E_RNA)
where:
Base-Base interactions energy: -158.361
where: short stacking energy: -86.873
Base-Backbone interact. energy: -0.226
local terms energy: -90.187493
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -7.678
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: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -296.204306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.204306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.204306 (E_RNA)
where:
Base-Base interactions energy: -195.768
where: short stacking energy: -82.802
Base-Backbone interact. energy: -0.191
local terms energy: -100.245570
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -21.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -201.270236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.270236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.270236 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -70.587
Base-Backbone interact. energy: -0.992
local terms energy: -74.443107
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -13.965
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: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -178.182952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.182952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.182952 (E_RNA)
where:
Base-Base interactions energy: -91.388
where: short stacking energy: -58.327
Base-Backbone interact. energy: -0.779
local terms energy: -86.015699
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -154.859106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.859106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.859106 (E_RNA)
where:
Base-Base interactions energy: -72.412
where: short stacking energy: -55.326
Base-Backbone interact. energy: -0.024
local terms energy: -82.423803
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -114.790257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.790257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.790257 (E_RNA)
where:
Base-Base interactions energy: -47.877
where: short stacking energy: -43.445
Base-Backbone interact. energy: -0.239
local terms energy: -66.674390
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -6.150
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: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -104.193009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.193009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.193009 (E_RNA)
where:
Base-Base interactions energy: -41.435
where: short stacking energy: -38.812
Base-Backbone interact. energy: -0.230
local terms energy: -62.528537
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -326.599568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.599568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.599568 (E_RNA)
where:
Base-Base interactions energy: -221.702
where: short stacking energy: -98.755
Base-Backbone interact. energy: -0.127
local terms energy: -104.770954
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -27.849
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: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -316.363967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.363967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.363967 (E_RNA)
where:
Base-Base interactions energy: -207.171
where: short stacking energy: -94.769
Base-Backbone interact. energy: 0.511
local terms energy: -109.703257
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -28.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -298.128280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.128280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.128280 (E_RNA)
where:
Base-Base interactions energy: -197.850
where: short stacking energy: -89.895
Base-Backbone interact. energy: -0.234
local terms energy: -100.043685
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -238.730430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.730430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.730430 (E_RNA)
where:
Base-Base interactions energy: -139.262
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.803
local terms energy: -98.665001
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -279.604624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.604624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.604624 (E_RNA)
where:
Base-Base interactions energy: -181.046
where: short stacking energy: -80.370
Base-Backbone interact. energy: 2.426
local terms energy: -100.985234
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -25.208
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -219.354112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.354112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.354112 (E_RNA)
where:
Base-Base interactions energy: -135.431
where: short stacking energy: -75.187
Base-Backbone interact. energy: -1.061
local terms energy: -82.861896
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -18.477
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: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -199.032510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.032510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.032510 (E_RNA)
where:
Base-Base interactions energy: -116.231
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.224
local terms energy: -82.577041
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -9.933
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: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -125.419035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.419035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.419035 (E_RNA)
where:
Base-Base interactions energy: -58.642
where: short stacking energy: -41.267
Base-Backbone interact. energy: 1.556
local terms energy: -68.332853
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -115.764215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.764215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.764215 (E_RNA)
where:
Base-Base interactions energy: -47.741
where: short stacking energy: -35.143
Base-Backbone interact. energy: -0.167
local terms energy: -67.855868
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -0.935
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: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -145.156670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.156670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.156670 (E_RNA)
where:
Base-Base interactions energy: -72.507
where: short stacking energy: -49.641
Base-Backbone interact. energy: -0.261
local terms energy: -72.388263
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -7.499
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: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -333.140217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.140217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.140217 (E_RNA)
where:
Base-Base interactions energy: -222.854
where: short stacking energy: -100.987
Base-Backbone interact. energy: -0.526
local terms energy: -109.760164
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -29.466
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: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -309.247865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.247865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.247865 (E_RNA)
where:
Base-Base interactions energy: -217.640
where: short stacking energy: -99.947
Base-Backbone interact. energy: -0.080
local terms energy: -91.527846
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -296.951394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.951394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.951394 (E_RNA)
where:
Base-Base interactions energy: -190.315
where: short stacking energy: -90.714
Base-Backbone interact. energy: -0.271
local terms energy: -106.365254
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -26.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -286.087503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.087503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.087503 (E_RNA)
where:
Base-Base interactions energy: -188.244
where: short stacking energy: -80.996
Base-Backbone interact. energy: -0.327
local terms energy: -97.516937
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -20.724
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: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -235.457687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.457687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.457687 (E_RNA)
where:
Base-Base interactions energy: -139.407
where: short stacking energy: -72.782
Base-Backbone interact. energy: -0.058
local terms energy: -95.992803
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -16.979
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -167.371715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.371715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.371715 (E_RNA)
where:
Base-Base interactions energy: -89.737
where: short stacking energy: -46.618
Base-Backbone interact. energy: -0.941
local terms energy: -76.693467
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -178.217235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.217235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.217235 (E_RNA)
where:
Base-Base interactions energy: -99.555
where: short stacking energy: -52.212
Base-Backbone interact. energy: -0.223
local terms energy: -78.439357
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -110.415286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.415286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.415286 (E_RNA)
where:
Base-Base interactions energy: -30.880
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.815
local terms energy: -78.719846
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -132.898907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.898907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.898907 (E_RNA)
where:
Base-Base interactions energy: -66.953
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.090
local terms energy: -65.856216
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -12.669
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: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -126.586505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.586505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.586505 (E_RNA)
where:
Base-Base interactions energy: -64.526
where: short stacking energy: -37.535
Base-Backbone interact. energy: -0.142
local terms energy: -61.918753
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -328.934191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.934191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.934191 (E_RNA)
where:
Base-Base interactions energy: -224.027
where: short stacking energy: -97.737
Base-Backbone interact. energy: -0.434
local terms energy: -104.472646
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -25.378
flat angles P-C4'-P energy: -10.924
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: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -307.586198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.586198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.586198 (E_RNA)
where:
Base-Base interactions energy: -203.987
where: short stacking energy: -93.954
Base-Backbone interact. energy: -0.491
local terms energy: -103.108508
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -288.704010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.704010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.704010 (E_RNA)
where:
Base-Base interactions energy: -193.550
where: short stacking energy: -75.823
Base-Backbone interact. energy: -0.649
local terms energy: -94.504986
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -272.043352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.043352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.043352 (E_RNA)
where:
Base-Base interactions energy: -181.529
where: short stacking energy: -84.996
Base-Backbone interact. energy: -0.753
local terms energy: -89.760846
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -242.814173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.814173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.814173 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -77.522
Base-Backbone interact. energy: 0.821
local terms energy: -99.008935
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -21.903
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: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -185.198254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.198254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.198254 (E_RNA)
where:
Base-Base interactions energy: -109.555
where: short stacking energy: -53.642
Base-Backbone interact. energy: -4.243
local terms energy: -71.399924
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -170.209772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.209772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.209772 (E_RNA)
where:
Base-Base interactions energy: -105.055
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.544
local terms energy: -64.611064
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -149.723891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.723891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.723891 (E_RNA)
where:
Base-Base interactions energy: -76.846
where: short stacking energy: -38.708
Base-Backbone interact. energy: 0.715
local terms energy: -73.593774
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -117.766645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.766645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.766645 (E_RNA)
where:
Base-Base interactions energy: -53.821
where: short stacking energy: -40.492
Base-Backbone interact. energy: -0.082
local terms energy: -63.863995
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -101.029851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.029851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.029851 (E_RNA)
where:
Base-Base interactions energy: -39.050
where: short stacking energy: -37.997
Base-Backbone interact. energy: -1.780
local terms energy: -60.199812
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -327.270572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.270572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.270572 (E_RNA)
where:
Base-Base interactions energy: -220.876
where: short stacking energy: -101.446
Base-Backbone interact. energy: -0.187
local terms energy: -106.207208
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -24.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -306.539566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.539566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.539566 (E_RNA)
where:
Base-Base interactions energy: -204.628
where: short stacking energy: -88.412
Base-Backbone interact. energy: 0.176
local terms energy: -102.087488
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -26.557
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: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -312.623618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.623618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.623618 (E_RNA)
where:
Base-Base interactions energy: -211.095
where: short stacking energy: -100.210
Base-Backbone interact. energy: -0.103
local terms energy: -101.425922
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -29.108
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: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -257.631920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.631920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.631920 (E_RNA)
where:
Base-Base interactions energy: -166.233
where: short stacking energy: -76.382
Base-Backbone interact. energy: -1.290
local terms energy: -90.108633
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -12.370
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: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -234.906858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.906858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.906858 (E_RNA)
where:
Base-Base interactions energy: -150.596
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.022
local terms energy: -84.288599
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -167.231244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.231244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.231244 (E_RNA)
where:
Base-Base interactions energy: -95.393
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.103
local terms energy: -71.735917
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -4.479
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: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -181.582445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.582445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.582445 (E_RNA)
where:
Base-Base interactions energy: -98.916
where: short stacking energy: -41.070
Base-Backbone interact. energy: -0.981
local terms energy: -81.684645
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -156.189757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.189757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.189757 (E_RNA)
where:
Base-Base interactions energy: -81.560
where: short stacking energy: -50.568
Base-Backbone interact. energy: -1.755
local terms energy: -72.874365
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -12.520
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: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -101.028166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.028166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.028166 (E_RNA)
where:
Base-Base interactions energy: -37.080
where: short stacking energy: -20.082
Base-Backbone interact. energy: -0.144
local terms energy: -63.804624
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: 2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -115.916696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.916696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.916696 (E_RNA)
where:
Base-Base interactions energy: -47.962
where: short stacking energy: -38.641
Base-Backbone interact. energy: -0.249
local terms energy: -67.705794
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -328.855626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.855626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.855626 (E_RNA)
where:
Base-Base interactions energy: -223.755
where: short stacking energy: -97.925
Base-Backbone interact. energy: -0.103
local terms energy: -104.997360
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -327.892598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.892598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.892598 (E_RNA)
where:
Base-Base interactions energy: -219.082
where: short stacking energy: -93.206
Base-Backbone interact. energy: -0.457
local terms energy: -108.353177
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -24.181
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: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -316.788619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.788619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.788619 (E_RNA)
where:
Base-Base interactions energy: -222.701
where: short stacking energy: -89.837
Base-Backbone interact. energy: -0.471
local terms energy: -93.616645
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -274.141168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.141168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.141168 (E_RNA)
where:
Base-Base interactions energy: -183.476
where: short stacking energy: -74.825
Base-Backbone interact. energy: -0.226
local terms energy: -90.438830
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -16.756
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: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -231.133680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.133680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.133680 (E_RNA)
where:
Base-Base interactions energy: -151.443
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.104
local terms energy: -79.587445
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -174.175146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.175146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.175146 (E_RNA)
where:
Base-Base interactions energy: -89.915
where: short stacking energy: -47.391
Base-Backbone interact. energy: -1.150
local terms energy: -83.109703
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -166.141064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.141064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.141064 (E_RNA)
where:
Base-Base interactions energy: -83.648
where: short stacking energy: -46.185
Base-Backbone interact. energy: -0.152
local terms energy: -82.341122
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -11.581
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: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -174.932296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.932296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.932296 (E_RNA)
where:
Base-Base interactions energy: -85.541
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.682
local terms energy: -88.709156
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -16.331
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: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -104.991186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.991186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.991186 (E_RNA)
where:
Base-Base interactions energy: -40.697
where: short stacking energy: -30.678
Base-Backbone interact. energy: 2.068
local terms energy: -66.361901
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -17.418
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -112.280437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.280437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.280437 (E_RNA)
where:
Base-Base interactions energy: -48.944
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.680
local terms energy: -62.656130
where:
bonds (distance) C4'-P energy: -7.270
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -324.279964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.279964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.279964 (E_RNA)
where:
Base-Base interactions energy: -220.394
where: short stacking energy: -93.800
Base-Backbone interact. energy: -0.163
local terms energy: -103.722797
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -319.679562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.679562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.679562 (E_RNA)
where:
Base-Base interactions energy: -213.363
where: short stacking energy: -93.503
Base-Backbone interact. energy: 0.190
local terms energy: -106.506697
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -27.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -308.906925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.906925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.906925 (E_RNA)
where:
Base-Base interactions energy: -204.111
where: short stacking energy: -100.730
Base-Backbone interact. energy: -0.974
local terms energy: -103.821486
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -283.309018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.309018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.309018 (E_RNA)
where:
Base-Base interactions energy: -183.693
where: short stacking energy: -71.400
Base-Backbone interact. energy: -1.896
local terms energy: -97.719389
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -230.667764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.667764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.667764 (E_RNA)
where:
Base-Base interactions energy: -131.845
where: short stacking energy: -64.621
Base-Backbone interact. energy: -0.820
local terms energy: -98.003169
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -16.625
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: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -187.709091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.709091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.709091 (E_RNA)
where:
Base-Base interactions energy: -97.323
where: short stacking energy: -63.206
Base-Backbone interact. energy: -1.002
local terms energy: -89.383487
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -171.555117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.555117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.555117 (E_RNA)
where:
Base-Base interactions energy: -95.291
where: short stacking energy: -44.078
Base-Backbone interact. energy: -0.423
local terms energy: -75.841062
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -150.513896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.513896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.513896 (E_RNA)
where:
Base-Base interactions energy: -75.689
where: short stacking energy: -50.226
Base-Backbone interact. energy: 1.438
local terms energy: -76.262389
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -13.878
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: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -106.849218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.849218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.849218 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -31.281
Base-Backbone interact. energy: 0.316
local terms energy: -71.087384
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -3.603
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: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -99.268429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.268429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.268429 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -34.356
Base-Backbone interact. energy: -1.339
local terms energy: -62.249602
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: 3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -326.918702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.918702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.918702 (E_RNA)
where:
Base-Base interactions energy: -220.707
where: short stacking energy: -95.627
Base-Backbone interact. energy: -0.173
local terms energy: -106.038385
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -26.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -315.406890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.406890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.406890 (E_RNA)
where:
Base-Base interactions energy: -221.530
where: short stacking energy: -91.820
Base-Backbone interact. energy: -0.206
local terms energy: -93.670260
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -24.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -305.715396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.715396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.715396 (E_RNA)
where:
Base-Base interactions energy: -204.464
where: short stacking energy: -87.863
Base-Backbone interact. energy: -0.236
local terms energy: -101.015457
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -22.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -299.157941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.157941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.157941 (E_RNA)
where:
Base-Base interactions energy: -196.036
where: short stacking energy: -83.181
Base-Backbone interact. energy: 1.416
local terms energy: -104.538203
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -27.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -224.449426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.449426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.449426 (E_RNA)
where:
Base-Base interactions energy: -142.557
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.563
local terms energy: -81.329713
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -15.731
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: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -182.606610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.606610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.606610 (E_RNA)
where:
Base-Base interactions energy: -93.878
where: short stacking energy: -68.644
Base-Backbone interact. energy: -0.846
local terms energy: -87.883169
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -14.177
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: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -181.222184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.222184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.222184 (E_RNA)
where:
Base-Base interactions energy: -96.124
where: short stacking energy: -59.715
Base-Backbone interact. energy: 0.723
local terms energy: -85.821531
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -125.320270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.320270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.320270 (E_RNA)
where:
Base-Base interactions energy: -55.829
where: short stacking energy: -50.143
Base-Backbone interact. energy: -0.356
local terms energy: -69.135201
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -9.665
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: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -105.794468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.794468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.794468 (E_RNA)
where:
Base-Base interactions energy: -36.777
where: short stacking energy: -32.247
Base-Backbone interact. energy: -0.294
local terms energy: -68.724018
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: 1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -100.241225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.241225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.241225 (E_RNA)
where:
Base-Base interactions energy: -30.091
where: short stacking energy: -23.978
Base-Backbone interact. energy: 1.104
local terms energy: -71.254455
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -4.225
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: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -325.559945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.559945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.559945 (E_RNA)
where:
Base-Base interactions energy: -218.213
where: short stacking energy: -101.725
Base-Backbone interact. energy: -0.240
local terms energy: -107.106624
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -30.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -308.081811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.081811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.081811 (E_RNA)
where:
Base-Base interactions energy: -206.925
where: short stacking energy: -103.058
Base-Backbone interact. energy: -0.093
local terms energy: -101.064673
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -28.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -296.202586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.202586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.202586 (E_RNA)
where:
Base-Base interactions energy: -206.803
where: short stacking energy: -86.226
Base-Backbone interact. energy: 0.417
local terms energy: -89.816850
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -309.527452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.527452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.527452 (E_RNA)
where:
Base-Base interactions energy: -209.564
where: short stacking energy: -86.697
Base-Backbone interact. energy: 1.746
local terms energy: -101.709090
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -25.609
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: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -233.427222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.427222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.427222 (E_RNA)
where:
Base-Base interactions energy: -152.713
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.135
local terms energy: -80.579331
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -16.033
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -182.481022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.481022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.481022 (E_RNA)
where:
Base-Base interactions energy: -99.687
where: short stacking energy: -54.379
Base-Backbone interact. energy: -0.271
local terms energy: -82.522573
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -146.968345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.968345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.968345 (E_RNA)
where:
Base-Base interactions energy: -83.262
where: short stacking energy: -48.139
Base-Backbone interact. energy: -0.027
local terms energy: -63.679153
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -4.741
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: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -110.080134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.080134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.080134 (E_RNA)
where:
Base-Base interactions energy: -41.715
where: short stacking energy: -38.251
Base-Backbone interact. energy: -0.678
local terms energy: -67.686759
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -22.941
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -10.693
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: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -110.006000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.006000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.006000 (E_RNA)
where:
Base-Base interactions energy: -50.579
where: short stacking energy: -44.646
Base-Backbone interact. energy: -0.865
local terms energy: -58.561602
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -105.551611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.551611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.551611 (E_RNA)
where:
Base-Base interactions energy: -39.481
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.663
local terms energy: -65.407138
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -332.415221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.415221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.415221 (E_RNA)
where:
Base-Base interactions energy: -224.576
where: short stacking energy: -99.064
Base-Backbone interact. energy: -0.159
local terms energy: -107.680364
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -322.123722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.123722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.123722 (E_RNA)
where:
Base-Base interactions energy: -225.181
where: short stacking energy: -90.141
Base-Backbone interact. energy: -0.254
local terms energy: -96.689039
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -287.544668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.544668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.544668 (E_RNA)
where:
Base-Base interactions energy: -195.722
where: short stacking energy: -84.790
Base-Backbone interact. energy: -2.076
local terms energy: -89.746667
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -17.837
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: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -300.257905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.257905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.257905 (E_RNA)
where:
Base-Base interactions energy: -199.844
where: short stacking energy: -89.464
Base-Backbone interact. energy: -0.419
local terms energy: -99.994820
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -26.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -232.960946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.960946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.960946 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -74.707
Base-Backbone interact. energy: -0.436
local terms energy: -86.858872
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.268
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: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -188.199000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.199000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.199000 (E_RNA)
where:
Base-Base interactions energy: -102.599
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.544
local terms energy: -85.055962
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -15.371
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: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -165.654828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.654828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.654828 (E_RNA)
where:
Base-Base interactions energy: -98.154
where: short stacking energy: -52.769
Base-Backbone interact. energy: 1.858
local terms energy: -69.358432
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -130.866123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.866123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.866123 (E_RNA)
where:
Base-Base interactions energy: -65.274
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.098
local terms energy: -65.494769
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -98.244322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.244322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.244322 (E_RNA)
where:
Base-Base interactions energy: -34.276
where: short stacking energy: -33.689
Base-Backbone interact. energy: -0.204
local terms energy: -63.763588
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -100.338442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.338442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.338442 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.243
local terms energy: -70.279434
where:
bonds (distance) C4'-P energy: -22.226
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -1.486
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: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -314.336884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.336884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.336884 (E_RNA)
where:
Base-Base interactions energy: -206.679
where: short stacking energy: -97.703
Base-Backbone interact. energy: -0.253
local terms energy: -107.404380
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -27.259
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: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -328.670298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.670298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.670298 (E_RNA)
where:
Base-Base interactions energy: -222.797
where: short stacking energy: -89.537
Base-Backbone interact. energy: -0.699
local terms energy: -105.173787
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -25.293
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: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -303.492562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.492562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.492562 (E_RNA)
where:
Base-Base interactions energy: -206.246
where: short stacking energy: -86.360
Base-Backbone interact. energy: -1.886
local terms energy: -95.360497
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -22.400
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: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -316.016184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.016184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.016184 (E_RNA)
where:
Base-Base interactions energy: -215.900
where: short stacking energy: -86.001
Base-Backbone interact. energy: -0.520
local terms energy: -99.596041
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -21.495
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: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -233.259507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.259507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.259507 (E_RNA)
where:
Base-Base interactions energy: -143.285
where: short stacking energy: -80.265
Base-Backbone interact. energy: -0.004
local terms energy: -89.970544
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -17.161
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: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -200.062247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.062247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.062247 (E_RNA)
where:
Base-Base interactions energy: -114.860
where: short stacking energy: -61.758
Base-Backbone interact. energy: -0.386
local terms energy: -84.816445
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -8.756
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: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -147.845984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.845984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.845984 (E_RNA)
where:
Base-Base interactions energy: -72.127
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.497
local terms energy: -75.221673
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -11.408
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: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -122.725899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.725899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.725899 (E_RNA)
where:
Base-Base interactions energy: -40.943
where: short stacking energy: -40.085
Base-Backbone interact. energy: -0.114
local terms energy: -81.668304
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -25.524
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -8.946
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: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -107.696826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.696826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.696826 (E_RNA)
where:
Base-Base interactions energy: -38.889
where: short stacking energy: -34.245
Base-Backbone interact. energy: -0.019
local terms energy: -68.789256
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -104.430289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.430289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.430289 (E_RNA)
where:
Base-Base interactions energy: -36.361
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.033
local terms energy: -68.036450
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -9.394
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: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -325.312618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.312618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.312618 (E_RNA)
where:
Base-Base interactions energy: -232.251
where: short stacking energy: -98.003
Base-Backbone interact. energy: -0.273
local terms energy: -92.788540
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -316.959780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.959780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.959780 (E_RNA)
where:
Base-Base interactions energy: -216.761
where: short stacking energy: -93.932
Base-Backbone interact. energy: -0.434
local terms energy: -99.764888
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -24.115
flat angles P-C4'-P energy: -17.542
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: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -295.002170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.002170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.002170 (E_RNA)
where:
Base-Base interactions energy: -192.303
where: short stacking energy: -91.891
Base-Backbone interact. energy: -1.430
local terms energy: -101.269247
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -28.691
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: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -291.365962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.365962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.365962 (E_RNA)
where:
Base-Base interactions energy: -197.243
where: short stacking energy: -85.252
Base-Backbone interact. energy: -0.377
local terms energy: -93.746162
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -25.123
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: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -210.903600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.903600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.903600 (E_RNA)
where:
Base-Base interactions energy: -123.691
where: short stacking energy: -74.834
Base-Backbone interact. energy: 1.203
local terms energy: -88.415488
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -9.867
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: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -234.426732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.426732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.426732 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -74.099
Base-Backbone interact. energy: -1.808
local terms energy: -86.164587
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -154.201568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.201568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.201568 (E_RNA)
where:
Base-Base interactions energy: -77.086
where: short stacking energy: -51.045
Base-Backbone interact. energy: -0.132
local terms energy: -76.982878
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -119.574363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.574363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.574363 (E_RNA)
where:
Base-Base interactions energy: -50.468
where: short stacking energy: -39.252
Base-Backbone interact. energy: -1.297
local terms energy: -67.809536
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: 3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -118.649389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.649389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.649389 (E_RNA)
where:
Base-Base interactions energy: -57.062
where: short stacking energy: -38.973
Base-Backbone interact. energy: 1.214
local terms energy: -62.800753
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -4.096
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: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -95.485156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.485156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.485156 (E_RNA)
where:
Base-Base interactions energy: -34.988
where: short stacking energy: -32.085
Base-Backbone interact. energy: 1.112
local terms energy: -61.609264
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -320.774525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.774525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.774525 (E_RNA)
where:
Base-Base interactions energy: -210.959
where: short stacking energy: -98.228
Base-Backbone interact. energy: -0.167
local terms energy: -109.648707
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -25.622
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -305.678151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.678151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.678151 (E_RNA)
where:
Base-Base interactions energy: -201.751
where: short stacking energy: -92.749
Base-Backbone interact. energy: -0.963
local terms energy: -102.963497
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -26.531
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: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -293.052473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.052473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.052473 (E_RNA)
where:
Base-Base interactions energy: -196.030
where: short stacking energy: -84.437
Base-Backbone interact. energy: -0.493
local terms energy: -96.529897
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -297.958114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.958114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.958114 (E_RNA)
where:
Base-Base interactions energy: -200.735
where: short stacking energy: -82.104
Base-Backbone interact. energy: 0.162
local terms energy: -97.384847
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -252.724489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.724489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.724489 (E_RNA)
where:
Base-Base interactions energy: -155.167
where: short stacking energy: -83.679
Base-Backbone interact. energy: -0.071
local terms energy: -97.486842
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -24.035
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: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -170.980384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.980384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.980384 (E_RNA)
where:
Base-Base interactions energy: -99.504
where: short stacking energy: -55.208
Base-Backbone interact. energy: -0.763
local terms energy: -70.713944
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -6.158
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: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -213.793022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.793022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.793022 (E_RNA)
where:
Base-Base interactions energy: -129.279
where: short stacking energy: -58.956
Base-Backbone interact. energy: -0.301
local terms energy: -84.213387
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -12.667
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: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -144.631488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.631488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.631488 (E_RNA)
where:
Base-Base interactions energy: -67.082
where: short stacking energy: -38.258
Base-Backbone interact. energy: -1.033
local terms energy: -76.516547
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -115.718434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.718434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.718434 (E_RNA)
where:
Base-Base interactions energy: -56.966
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.456
local terms energy: -58.296514
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -108.516678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.516678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.516678 (E_RNA)
where:
Base-Base interactions energy: -30.140
where: short stacking energy: -30.137
Base-Backbone interact. energy: -0.160
local terms energy: -78.217171
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -13.878
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: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -320.552400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.552400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.552400 (E_RNA)
where:
Base-Base interactions energy: -211.685
where: short stacking energy: -95.434
Base-Backbone interact. energy: -1.053
local terms energy: -107.813851
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -27.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -320.940393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.940393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.940393 (E_RNA)
where:
Base-Base interactions energy: -213.092
where: short stacking energy: -88.222
Base-Backbone interact. energy: 0.240
local terms energy: -108.087912
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -23.803
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: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -297.311137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.311137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.311137 (E_RNA)
where:
Base-Base interactions energy: -202.406
where: short stacking energy: -91.588
Base-Backbone interact. energy: -1.534
local terms energy: -93.371117
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -24.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -302.987973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.987973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.987973 (E_RNA)
where:
Base-Base interactions energy: -207.569
where: short stacking energy: -91.961
Base-Backbone interact. energy: -0.729
local terms energy: -94.689252
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -236.456671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.456671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.456671 (E_RNA)
where:
Base-Base interactions energy: -139.154
where: short stacking energy: -71.285
Base-Backbone interact. energy: 0.736
local terms energy: -98.038836
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -21.537
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: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -163.816489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.816489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.816489 (E_RNA)
where:
Base-Base interactions energy: -94.515
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.651
local terms energy: -68.650603
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -13.516
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: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -207.858225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.858225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.858225 (E_RNA)
where:
Base-Base interactions energy: -127.241
where: short stacking energy: -70.661
Base-Backbone interact. energy: -0.082
local terms energy: -80.535589
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -11.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -110.206114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.206114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.206114 (E_RNA)
where:
Base-Base interactions energy: -46.833
where: short stacking energy: -40.660
Base-Backbone interact. energy: -0.206
local terms energy: -63.166661
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: 1.042
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: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -128.907419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.907419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.907419 (E_RNA)
where:
Base-Base interactions energy: -50.631
where: short stacking energy: -52.131
Base-Backbone interact. energy: -0.744
local terms energy: -77.532453
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -7.971
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: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -106.797409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.797409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.797409 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -36.698
Base-Backbone interact. energy: -0.535
local terms energy: -63.262191
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -0.699
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: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -320.692853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.692853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.692853 (E_RNA)
where:
Base-Base interactions energy: -208.991
where: short stacking energy: -98.673
Base-Backbone interact. energy: 0.301
local terms energy: -112.002379
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -28.070
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: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -317.539273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.539273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.539273 (E_RNA)
where:
Base-Base interactions energy: -217.337
where: short stacking energy: -92.414
Base-Backbone interact. energy: -0.252
local terms energy: -99.950253
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -23.319
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -304.633425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.633425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.633425 (E_RNA)
where:
Base-Base interactions energy: -212.218
where: short stacking energy: -84.922
Base-Backbone interact. energy: -0.428
local terms energy: -91.986485
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -10.937
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: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -299.659163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.659163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.659163 (E_RNA)
where:
Base-Base interactions energy: -208.224
where: short stacking energy: -91.308
Base-Backbone interact. energy: -0.513
local terms energy: -90.922693
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -23.211
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: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -181.632675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.632675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.632675 (E_RNA)
where:
Base-Base interactions energy: -94.975
where: short stacking energy: -58.738
Base-Backbone interact. energy: 1.616
local terms energy: -88.273759
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -15.312
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: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -222.227816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.227816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.227816 (E_RNA)
where:
Base-Base interactions energy: -137.847
where: short stacking energy: -69.592
Base-Backbone interact. energy: -0.233
local terms energy: -84.147543
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -157.927925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.927925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.927925 (E_RNA)
where:
Base-Base interactions energy: -93.658
where: short stacking energy: -50.849
Base-Backbone interact. energy: -1.034
local terms energy: -63.235338
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: 0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -124.829403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.829403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.829403 (E_RNA)
where:
Base-Base interactions energy: -51.619
where: short stacking energy: -37.216
Base-Backbone interact. energy: -0.984
local terms energy: -72.225656
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -106.521515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.521515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.521515 (E_RNA)
where:
Base-Base interactions energy: -42.307
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.373
local terms energy: -63.841439
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -104.775794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.775794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.775794 (E_RNA)
where:
Base-Base interactions energy: -42.744
where: short stacking energy: -42.796
Base-Backbone interact. energy: -0.203
local terms energy: -61.829628
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -328.755878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.755878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.755878 (E_RNA)
where:
Base-Base interactions energy: -225.284
where: short stacking energy: -92.400
Base-Backbone interact. energy: -0.158
local terms energy: -103.313970
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -24.757
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: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -320.659001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.659001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.659001 (E_RNA)
where:
Base-Base interactions energy: -210.631
where: short stacking energy: -101.945
Base-Backbone interact. energy: -0.453
local terms energy: -109.574239
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -26.298
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: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -307.150383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.150383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.150383 (E_RNA)
where:
Base-Base interactions energy: -200.827
where: short stacking energy: -85.957
Base-Backbone interact. energy: -0.819
local terms energy: -105.504541
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -24.532
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: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -289.979211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.979211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.979211 (E_RNA)
where:
Base-Base interactions energy: -190.345
where: short stacking energy: -96.606
Base-Backbone interact. energy: 1.064
local terms energy: -100.698826
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -11.408
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: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -238.662162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.662162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.662162 (E_RNA)
where:
Base-Base interactions energy: -158.352
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.220
local terms energy: -80.089923
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -188.098957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.098957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.098957 (E_RNA)
where:
Base-Base interactions energy: -103.967
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.194
local terms energy: -83.938196
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -4.486
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: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -140.938334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.938334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.938334 (E_RNA)
where:
Base-Base interactions energy: -68.691
where: short stacking energy: -43.800
Base-Backbone interact. energy: -0.372
local terms energy: -71.875181
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -120.270839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.270839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.270839 (E_RNA)
where:
Base-Base interactions energy: -63.734
where: short stacking energy: -35.913
Base-Backbone interact. energy: -0.520
local terms energy: -56.017098
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: 1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -106.811953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.811953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.811953 (E_RNA)
where:
Base-Base interactions energy: -48.645
where: short stacking energy: -17.908
Base-Backbone interact. energy: 0.199
local terms energy: -58.366082
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: 7.380
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: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -101.373296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.373296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.373296 (E_RNA)
where:
Base-Base interactions energy: -28.835
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.121
local terms energy: -72.417726
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -4.098
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: 421
Temperature: 0.900000
Total energy: -325.612625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.612625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.612625 (E_RNA)
where:
Base-Base interactions energy: -222.709
where: short stacking energy: -92.072
Base-Backbone interact. energy: -0.363
local terms energy: -102.540400
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -329.425007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.425007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.425007 (E_RNA)
where:
Base-Base interactions energy: -233.422
where: short stacking energy: -104.246
Base-Backbone interact. energy: -0.435
local terms energy: -95.568212
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -24.132
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -26.629
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: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -305.224101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.224101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.224101 (E_RNA)
where:
Base-Base interactions energy: -201.455
where: short stacking energy: -88.846
Base-Backbone interact. energy: 0.550
local terms energy: -104.319606
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -21.971
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: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -298.947189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.947189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.947189 (E_RNA)
where:
Base-Base interactions energy: -195.108
where: short stacking energy: -87.497
Base-Backbone interact. energy: 1.941
local terms energy: -105.780014
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -25.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -238.998059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.998059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.998059 (E_RNA)
where:
Base-Base interactions energy: -146.329
where: short stacking energy: -88.041
Base-Backbone interact. energy: -0.167
local terms energy: -92.502129
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -22.461
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: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -192.753337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.753337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.753337 (E_RNA)
where:
Base-Base interactions energy: -110.822
where: short stacking energy: -66.412
Base-Backbone interact. energy: 0.098
local terms energy: -82.029686
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -114.713161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.713161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.713161 (E_RNA)
where:
Base-Base interactions energy: -40.964
where: short stacking energy: -40.964
Base-Backbone interact. energy: -0.211
local terms energy: -73.537634
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -119.474389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.474389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.474389 (E_RNA)
where:
Base-Base interactions energy: -45.133
where: short stacking energy: -45.133
Base-Backbone interact. energy: -0.180
local terms energy: -74.160992
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -110.837513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.837513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.837513 (E_RNA)
where:
Base-Base interactions energy: -38.023
where: short stacking energy: -32.481
Base-Backbone interact. energy: -0.460
local terms energy: -72.354910
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -99.869479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.869479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.869479 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.153
local terms energy: -56.854886
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: 2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -330.732509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.732509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.732509 (E_RNA)
where:
Base-Base interactions energy: -223.602
where: short stacking energy: -103.446
Base-Backbone interact. energy: -0.230
local terms energy: -106.899771
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -23.700
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -26.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -328.725916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.725916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.725916 (E_RNA)
where:
Base-Base interactions energy: -225.835
where: short stacking energy: -103.808
Base-Backbone interact. energy: -1.117
local terms energy: -101.773563
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -312.618137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.618137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.618137 (E_RNA)
where:
Base-Base interactions energy: -209.612
where: short stacking energy: -92.943
Base-Backbone interact. energy: -0.156
local terms energy: -102.849959
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -22.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -302.606984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.606984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.606984 (E_RNA)
where:
Base-Base interactions energy: -202.094
where: short stacking energy: -83.450
Base-Backbone interact. energy: 0.470
local terms energy: -100.982704
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -23.916
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: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -201.451347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.451347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.451347 (E_RNA)
where:
Base-Base interactions energy: -114.485
where: short stacking energy: -80.276
Base-Backbone interact. energy: 1.321
local terms energy: -88.287438
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.616
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: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -236.886242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.886242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.886242 (E_RNA)
where:
Base-Base interactions energy: -145.658
where: short stacking energy: -67.500
Base-Backbone interact. energy: -0.105
local terms energy: -91.123635
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -23.959
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: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -131.371428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.371428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.371428 (E_RNA)
where:
Base-Base interactions energy: -66.243
where: short stacking energy: -31.883
Base-Backbone interact. energy: 0.197
local terms energy: -65.325055
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -10.234
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: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -105.316076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.316076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.316076 (E_RNA)
where:
Base-Base interactions energy: -46.564
where: short stacking energy: -30.046
Base-Backbone interact. energy: -0.376
local terms energy: -58.376211
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.362
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: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -111.609828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.609828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.609828 (E_RNA)
where:
Base-Base interactions energy: -36.964
where: short stacking energy: -34.090
Base-Backbone interact. energy: 0.651
local terms energy: -75.297283
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -14.457
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: 422
Temperature: 1.350000
Total energy: -109.881756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.881756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.881756 (E_RNA)
where:
Base-Base interactions energy: -42.406
where: short stacking energy: -36.926
Base-Backbone interact. energy: -0.222
local terms energy: -67.253386
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -9.464
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: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -333.179614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.179614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.179614 (E_RNA)
where:
Base-Base interactions energy: -222.726
where: short stacking energy: -96.788
Base-Backbone interact. energy: -1.171
local terms energy: -109.283186
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -28.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -308.353302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.353302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.353302 (E_RNA)
where:
Base-Base interactions energy: -215.078
where: short stacking energy: -85.010
Base-Backbone interact. energy: -0.160
local terms energy: -93.115485
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -9.398
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: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -318.552050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.552050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.552050 (E_RNA)
where:
Base-Base interactions energy: -219.425
where: short stacking energy: -101.421
Base-Backbone interact. energy: -0.202
local terms energy: -98.925079
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -298.706115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.706115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.706115 (E_RNA)
where:
Base-Base interactions energy: -194.974
where: short stacking energy: -91.622
Base-Backbone interact. energy: -1.596
local terms energy: -102.135954
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -28.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -199.058640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.058640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.058640 (E_RNA)
where:
Base-Base interactions energy: -109.550
where: short stacking energy: -52.495
Base-Backbone interact. energy: -0.479
local terms energy: -89.029150
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -231.067313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.067313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.067313 (E_RNA)
where:
Base-Base interactions energy: -128.070
where: short stacking energy: -75.033
Base-Backbone interact. energy: -0.720
local terms energy: -102.277123
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -22.540
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: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -114.617873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.617873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.617873 (E_RNA)
where:
Base-Base interactions energy: -50.204
where: short stacking energy: -49.335
Base-Backbone interact. energy: -1.134
local terms energy: -63.279801
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -109.863043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.863043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.863043 (E_RNA)
where:
Base-Base interactions energy: -54.061
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.110
local terms energy: -55.692534
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -102.489033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.489033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.489033 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -22.851
Base-Backbone interact. energy: -0.314
local terms energy: -69.391957
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: 0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -112.263808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.263808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.263808 (E_RNA)
where:
Base-Base interactions energy: -52.160
where: short stacking energy: -23.126
Base-Backbone interact. energy: -0.168
local terms energy: -59.935683
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: 2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -326.152413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.152413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.152413 (E_RNA)
where:
Base-Base interactions energy: -217.799
where: short stacking energy: -97.058
Base-Backbone interact. energy: -0.228
local terms energy: -108.124962
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -28.982
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: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -327.926391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.926391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.926391 (E_RNA)
where:
Base-Base interactions energy: -227.685
where: short stacking energy: -94.625
Base-Backbone interact. energy: -0.585
local terms energy: -99.656844
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -309.789208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.789208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.789208 (E_RNA)
where:
Base-Base interactions energy: -210.762
where: short stacking energy: -95.878
Base-Backbone interact. energy: -0.222
local terms energy: -98.805687
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -287.361532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.361532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.361532 (E_RNA)
where:
Base-Base interactions energy: -200.638
where: short stacking energy: -88.128
Base-Backbone interact. energy: -0.800
local terms energy: -85.923484
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -16.315
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: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -243.709536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.709536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.709536 (E_RNA)
where:
Base-Base interactions energy: -149.868
where: short stacking energy: -69.630
Base-Backbone interact. energy: -0.569
local terms energy: -93.271891
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -18.131
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: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -235.456839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.456839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.456839 (E_RNA)
where:
Base-Base interactions energy: -149.352
where: short stacking energy: -64.112
Base-Backbone interact. energy: -1.121
local terms energy: -84.983929
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -16.776
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: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -136.242945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.242945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.242945 (E_RNA)
where:
Base-Base interactions energy: -50.301
where: short stacking energy: -50.301
Base-Backbone interact. energy: -0.230
local terms energy: -85.711459
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -24.458
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -114.053173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.053173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.053173 (E_RNA)
where:
Base-Base interactions energy: -41.246
where: short stacking energy: -35.326
Base-Backbone interact. energy: 0.870
local terms energy: -73.677199
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -104.233798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.233798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.233798 (E_RNA)
where:
Base-Base interactions energy: -35.340
where: short stacking energy: -34.264
Base-Backbone interact. energy: -0.369
local terms energy: -68.524623
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -2.255
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: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -97.799977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.799977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.799977 (E_RNA)
where:
Base-Base interactions energy: -40.273
where: short stacking energy: -26.671
Base-Backbone interact. energy: -0.668
local terms energy: -56.858581
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: 1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -332.842531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.842531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.842531 (E_RNA)
where:
Base-Base interactions energy: -230.661
where: short stacking energy: -99.203
Base-Backbone interact. energy: -0.225
local terms energy: -101.956400
where:
bonds (distance) C4'-P energy: -22.585
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -26.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -328.318585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.318585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.318585 (E_RNA)
where:
Base-Base interactions energy: -227.404
where: short stacking energy: -101.864
Base-Backbone interact. energy: -0.273
local terms energy: -100.641552
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -26.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -310.307185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.307185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.307185 (E_RNA)
where:
Base-Base interactions energy: -208.801
where: short stacking energy: -92.789
Base-Backbone interact. energy: 0.343
local terms energy: -101.849671
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -283.988152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.988152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.988152 (E_RNA)
where:
Base-Base interactions energy: -183.671
where: short stacking energy: -79.765
Base-Backbone interact. energy: -0.211
local terms energy: -100.106317
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -13.673
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: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -228.232506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.232506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.232506 (E_RNA)
where:
Base-Base interactions energy: -138.519
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.527
local terms energy: -89.186680
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -208.072793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.072793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.072793 (E_RNA)
where:
Base-Base interactions energy: -129.944
where: short stacking energy: -62.147
Base-Backbone interact. energy: -1.762
local terms energy: -76.366949
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -5.968
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -110.765308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.765308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.765308 (E_RNA)
where:
Base-Base interactions energy: -44.320
where: short stacking energy: -36.555
Base-Backbone interact. energy: -0.580
local terms energy: -65.865747
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -113.330830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.330830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.330830 (E_RNA)
where:
Base-Base interactions energy: -57.683
where: short stacking energy: -39.953
Base-Backbone interact. energy: -0.291
local terms energy: -55.357409
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -113.680162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.680162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.680162 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -41.279
Base-Backbone interact. energy: -0.049
local terms energy: -70.889895
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -10.660
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: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -103.502308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.502308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.502308 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.435
local terms energy: -70.777344
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -321.522764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.522764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.522764 (E_RNA)
where:
Base-Base interactions energy: -212.117
where: short stacking energy: -99.965
Base-Backbone interact. energy: -1.040
local terms energy: -108.365458
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -316.400886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.400886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.400886 (E_RNA)
where:
Base-Base interactions energy: -219.269
where: short stacking energy: -94.474
Base-Backbone interact. energy: -2.091
local terms energy: -95.041080
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -19.126
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: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -315.412911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.412911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.412911 (E_RNA)
where:
Base-Base interactions energy: -206.658
where: short stacking energy: -93.298
Base-Backbone interact. energy: -0.228
local terms energy: -108.526949
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -21.608
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -29.161
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: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -293.086091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.086091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.086091 (E_RNA)
where:
Base-Base interactions energy: -187.308
where: short stacking energy: -86.057
Base-Backbone interact. energy: -3.084
local terms energy: -102.694716
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -250.063361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.063361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.063361 (E_RNA)
where:
Base-Base interactions energy: -150.707
where: short stacking energy: -79.533
Base-Backbone interact. energy: -1.381
local terms energy: -97.975389
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -24.752
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: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -223.372940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.372940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.372940 (E_RNA)
where:
Base-Base interactions energy: -135.492
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.501
local terms energy: -87.380245
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -127.294682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.294682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.294682 (E_RNA)
where:
Base-Base interactions energy: -58.071
where: short stacking energy: -40.035
Base-Backbone interact. energy: -0.597
local terms energy: -68.626501
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -121.752153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.752153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.752153 (E_RNA)
where:
Base-Base interactions energy: -43.094
where: short stacking energy: -43.094
Base-Backbone interact. energy: -0.333
local terms energy: -78.325240
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -103.402795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.402795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.402795 (E_RNA)
where:
Base-Base interactions energy: -37.842
where: short stacking energy: -35.825
Base-Backbone interact. energy: -0.346
local terms energy: -65.214510
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -8.158
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: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -103.017635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.017635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.017635 (E_RNA)
where:
Base-Base interactions energy: -48.065
where: short stacking energy: -31.992
Base-Backbone interact. energy: 0.656
local terms energy: -55.608316
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -2.271
tors. eta vs tors. theta energy: 2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -323.003681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.003681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.003681 (E_RNA)
where:
Base-Base interactions energy: -220.432
where: short stacking energy: -102.438
Base-Backbone interact. energy: -0.154
local terms energy: -102.418364
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -308.137400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.137400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.137400 (E_RNA)
where:
Base-Base interactions energy: -208.478
where: short stacking energy: -91.422
Base-Backbone interact. energy: -0.243
local terms energy: -99.416190
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -298.557487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.557487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.557487 (E_RNA)
where:
Base-Base interactions energy: -195.721
where: short stacking energy: -87.376
Base-Backbone interact. energy: -0.171
local terms energy: -102.665261
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -22.048
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -22.946
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: 427
Temperature: 1.050000
Total energy: -287.101549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.101549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.101549 (E_RNA)
where:
Base-Base interactions energy: -194.589
where: short stacking energy: -85.441
Base-Backbone interact. energy: -1.193
local terms energy: -91.320053
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -21.597
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: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -232.805111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.805111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.805111 (E_RNA)
where:
Base-Base interactions energy: -154.708
where: short stacking energy: -71.539
Base-Backbone interact. energy: -0.217
local terms energy: -77.880266
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -170.135101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.135101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.135101 (E_RNA)
where:
Base-Base interactions energy: -93.007
where: short stacking energy: -52.772
Base-Backbone interact. energy: -0.911
local terms energy: -76.217226
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -8.931
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: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -204.155463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.155463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.155463 (E_RNA)
where:
Base-Base interactions energy: -123.167
where: short stacking energy: -56.598
Base-Backbone interact. energy: -0.268
local terms energy: -80.720257
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -26.150
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -12.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -111.703414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.703414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.703414 (E_RNA)
where:
Base-Base interactions energy: -48.748
where: short stacking energy: -45.560
Base-Backbone interact. energy: -0.136
local terms energy: -62.819732
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -1.262
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: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -108.780994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.780994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.780994 (E_RNA)
where:
Base-Base interactions energy: -48.157
where: short stacking energy: -48.157
Base-Backbone interact. energy: -0.134
local terms energy: -60.489431
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -109.572145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.572145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.572145 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -29.192
Base-Backbone interact. energy: 0.391
local terms energy: -68.060379
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -313.572661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.572661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.572661 (E_RNA)
where:
Base-Base interactions energy: -202.295
where: short stacking energy: -89.254
Base-Backbone interact. energy: -0.108
local terms energy: -111.169589
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -20.806
tors. eta vs tors. theta energy: -24.192
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: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -325.095090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.095090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.095090 (E_RNA)
where:
Base-Base interactions energy: -220.583
where: short stacking energy: -97.730
Base-Backbone interact. energy: -0.145
local terms energy: -104.367111
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -294.020926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.020926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.020926 (E_RNA)
where:
Base-Base interactions energy: -196.106
where: short stacking energy: -87.409
Base-Backbone interact. energy: -0.821
local terms energy: -97.094010
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -26.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -292.656611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.656611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.656611 (E_RNA)
where:
Base-Base interactions energy: -197.988
where: short stacking energy: -92.462
Base-Backbone interact. energy: -0.757
local terms energy: -93.911856
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -182.164376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.164376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.164376 (E_RNA)
where:
Base-Base interactions energy: -100.777
where: short stacking energy: -60.785
Base-Backbone interact. energy: 0.009
local terms energy: -81.396404
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -11.020
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: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -245.486306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.486306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.486306 (E_RNA)
where:
Base-Base interactions energy: -149.596
where: short stacking energy: -76.861
Base-Backbone interact. energy: -0.058
local terms energy: -95.832723
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -161.716383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.716383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.716383 (E_RNA)
where:
Base-Base interactions energy: -94.108
where: short stacking energy: -30.920
Base-Backbone interact. energy: 0.521
local terms energy: -68.129505
where:
bonds (distance) C4'-P energy: -21.921
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -106.745869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.745869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.745869 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -38.676
Base-Backbone interact. energy: 0.068
local terms energy: -68.073886
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -114.662228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.662228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.662228 (E_RNA)
where:
Base-Base interactions energy: -50.579
where: short stacking energy: -34.004
Base-Backbone interact. energy: -0.814
local terms energy: -63.268789
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -10.139
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: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -103.563518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.563518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.563518 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -25.532
Base-Backbone interact. energy: 2.246
local terms energy: -70.617545
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: 1.872
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: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -325.594725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.594725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.594725 (E_RNA)
where:
Base-Base interactions energy: -218.538
where: short stacking energy: -100.368
Base-Backbone interact. energy: -0.670
local terms energy: -106.386670
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -27.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -306.609483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.609483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.609483 (E_RNA)
where:
Base-Base interactions energy: -207.737
where: short stacking energy: -88.245
Base-Backbone interact. energy: -0.132
local terms energy: -98.739872
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -12.922
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: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -315.430208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.430208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.430208 (E_RNA)
where:
Base-Base interactions energy: -205.365
where: short stacking energy: -93.376
Base-Backbone interact. energy: 0.978
local terms energy: -111.043221
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -24.160
flat angles C4'-P-C4' energy: -23.500
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -296.517854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.517854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.517854 (E_RNA)
where:
Base-Base interactions energy: -196.091
where: short stacking energy: -85.511
Base-Backbone interact. energy: -0.092
local terms energy: -100.334598
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -178.772031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.772031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.772031 (E_RNA)
where:
Base-Base interactions energy: -95.832
where: short stacking energy: -45.241
Base-Backbone interact. energy: -0.066
local terms energy: -82.874746
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -16.565
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: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -231.329261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.329261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.329261 (E_RNA)
where:
Base-Base interactions energy: -148.607
where: short stacking energy: -78.762
Base-Backbone interact. energy: -0.198
local terms energy: -82.524232
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -21.908
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: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -178.858703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.858703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.858703 (E_RNA)
where:
Base-Base interactions energy: -108.969
where: short stacking energy: -64.174
Base-Backbone interact. energy: 0.054
local terms energy: -69.943116
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -21.406
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -123.377787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.377787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.377787 (E_RNA)
where:
Base-Base interactions energy: -54.980
where: short stacking energy: -37.802
Base-Backbone interact. energy: 1.891
local terms energy: -70.289586
where:
bonds (distance) C4'-P energy: -21.747
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -4.020
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: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -117.551624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.551624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.551624 (E_RNA)
where:
Base-Base interactions energy: -59.415
where: short stacking energy: -55.005
Base-Backbone interact. energy: -0.259
local terms energy: -57.877888
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -8.463
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: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -117.476083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.476083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.476083 (E_RNA)
where:
Base-Base interactions energy: -68.783
where: short stacking energy: -38.545
Base-Backbone interact. energy: 2.425
local terms energy: -51.118111
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: 2.760
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -319.270137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.270137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.270137 (E_RNA)
where:
Base-Base interactions energy: -214.486
where: short stacking energy: -95.582
Base-Backbone interact. energy: -0.326
local terms energy: -104.457437
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -29.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -322.791905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.791905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.791905 (E_RNA)
where:
Base-Base interactions energy: -226.486
where: short stacking energy: -99.111
Base-Backbone interact. energy: -0.454
local terms energy: -95.851275
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -24.853
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: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -306.600959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.600959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.600959 (E_RNA)
where:
Base-Base interactions energy: -204.325
where: short stacking energy: -94.132
Base-Backbone interact. energy: -0.692
local terms energy: -101.583683
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -289.697116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.697116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.697116 (E_RNA)
where:
Base-Base interactions energy: -180.168
where: short stacking energy: -85.781
Base-Backbone interact. energy: -0.107
local terms energy: -109.421725
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -25.191
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: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -230.434529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.434529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.434529 (E_RNA)
where:
Base-Base interactions energy: -142.438
where: short stacking energy: -71.721
Base-Backbone interact. energy: -0.243
local terms energy: -87.754470
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -181.169028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.169028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.169028 (E_RNA)
where:
Base-Base interactions energy: -100.982
where: short stacking energy: -60.978
Base-Backbone interact. energy: -1.102
local terms energy: -79.084975
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -177.161828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.161828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.161828 (E_RNA)
where:
Base-Base interactions energy: -106.110
where: short stacking energy: -65.724
Base-Backbone interact. energy: 2.062
local terms energy: -73.113317
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -10.558
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: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -117.114052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.114052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.114052 (E_RNA)
where:
Base-Base interactions energy: -44.483
where: short stacking energy: -36.554
Base-Backbone interact. energy: 2.389
local terms energy: -75.020707
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -22.435
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -5.658
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: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -105.820400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.820400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.820400 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -34.690
Base-Backbone interact. energy: -0.130
local terms energy: -63.566267
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -106.409261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.409261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.409261 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -39.270
Base-Backbone interact. energy: 0.340
local terms energy: -70.079064
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -317.865458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.865458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.865458 (E_RNA)
where:
Base-Base interactions energy: -210.099
where: short stacking energy: -101.227
Base-Backbone interact. energy: -0.345
local terms energy: -107.421647
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -26.476
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: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -313.882541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.882541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.882541 (E_RNA)
where:
Base-Base interactions energy: -215.602
where: short stacking energy: -82.706
Base-Backbone interact. energy: -0.158
local terms energy: -98.122534
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -23.445
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: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -298.820312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.820312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.820312 (E_RNA)
where:
Base-Base interactions energy: -199.522
where: short stacking energy: -90.859
Base-Backbone interact. energy: -0.378
local terms energy: -98.920705
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -297.531488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.531488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.531488 (E_RNA)
where:
Base-Base interactions energy: -195.257
where: short stacking energy: -93.093
Base-Backbone interact. energy: -0.150
local terms energy: -102.125429
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -222.734579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.734579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.734579 (E_RNA)
where:
Base-Base interactions energy: -142.374
where: short stacking energy: -73.805
Base-Backbone interact. energy: -0.386
local terms energy: -79.974688
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -6.877
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: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -186.719068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.719068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.719068 (E_RNA)
where:
Base-Base interactions energy: -108.493
where: short stacking energy: -76.062
Base-Backbone interact. energy: -0.020
local terms energy: -78.207011
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -175.528647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.528647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.528647 (E_RNA)
where:
Base-Base interactions energy: -98.376
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.156
local terms energy: -76.997078
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -16.694
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: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -111.970874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.970874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.970874 (E_RNA)
where:
Base-Base interactions energy: -48.015
where: short stacking energy: -36.172
Base-Backbone interact. energy: -0.244
local terms energy: -63.711581
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -122.841187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.841187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.841187 (E_RNA)
where:
Base-Base interactions energy: -53.558
where: short stacking energy: -30.773
Base-Backbone interact. energy: -1.749
local terms energy: -67.534427
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -114.089811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.089811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.089811 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -23.596
Base-Backbone interact. energy: -0.533
local terms energy: -74.571416
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -327.946734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.946734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.946734 (E_RNA)
where:
Base-Base interactions energy: -221.150
where: short stacking energy: -90.954
Base-Backbone interact. energy: -1.373
local terms energy: -105.424018
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -27.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -307.099114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.099114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.099114 (E_RNA)
where:
Base-Base interactions energy: -209.284
where: short stacking energy: -90.575
Base-Backbone interact. energy: 0.408
local terms energy: -98.223016
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -313.085323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.085323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.085323 (E_RNA)
where:
Base-Base interactions energy: -202.523
where: short stacking energy: -92.548
Base-Backbone interact. energy: -0.636
local terms energy: -109.925743
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -27.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -290.912435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.912435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.912435 (E_RNA)
where:
Base-Base interactions energy: -188.610
where: short stacking energy: -81.405
Base-Backbone interact. energy: -0.760
local terms energy: -101.542245
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -198.883806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.883806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.883806 (E_RNA)
where:
Base-Base interactions energy: -115.336
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.618
local terms energy: -82.929380
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -10.541
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: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -244.315968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.315968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.315968 (E_RNA)
where:
Base-Base interactions energy: -143.613
where: short stacking energy: -77.905
Base-Backbone interact. energy: -0.220
local terms energy: -100.482418
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -24.340
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: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -168.381719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.381719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.381719 (E_RNA)
where:
Base-Base interactions energy: -86.345
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.520
local terms energy: -81.517133
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -13.885
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: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -125.681137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.681137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.681137 (E_RNA)
where:
Base-Base interactions energy: -56.119
where: short stacking energy: -44.088
Base-Backbone interact. energy: -0.603
local terms energy: -68.959401
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -111.448321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.448321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.448321 (E_RNA)
where:
Base-Base interactions energy: -52.470
where: short stacking energy: -41.756
Base-Backbone interact. energy: -0.386
local terms energy: -58.591951
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -115.455151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.455151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.455151 (E_RNA)
where:
Base-Base interactions energy: -43.673
where: short stacking energy: -34.760
Base-Backbone interact. energy: -0.481
local terms energy: -71.301267
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -7.033
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: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -324.387148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.387148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.387148 (E_RNA)
where:
Base-Base interactions energy: -218.306
where: short stacking energy: -93.962
Base-Backbone interact. energy: -0.194
local terms energy: -105.887585
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -312.427663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.427663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.427663 (E_RNA)
where:
Base-Base interactions energy: -211.401
where: short stacking energy: -94.014
Base-Backbone interact. energy: -0.220
local terms energy: -100.807032
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -26.333
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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -314.618249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.618249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.618249 (E_RNA)
where:
Base-Base interactions energy: -217.253
where: short stacking energy: -94.614
Base-Backbone interact. energy: -0.236
local terms energy: -97.129366
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -24.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -291.747996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.747996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.747996 (E_RNA)
where:
Base-Base interactions energy: -194.011
where: short stacking energy: -75.854
Base-Backbone interact. energy: -2.414
local terms energy: -95.322972
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -16.701
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: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -203.034614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.034614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.034614 (E_RNA)
where:
Base-Base interactions energy: -121.315
where: short stacking energy: -80.156
Base-Backbone interact. energy: -0.053
local terms energy: -81.666084
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -14.586
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: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -230.800577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.800577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.800577 (E_RNA)
where:
Base-Base interactions energy: -138.611
where: short stacking energy: -75.843
Base-Backbone interact. energy: -0.074
local terms energy: -92.115721
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -165.113279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.113279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.113279 (E_RNA)
where:
Base-Base interactions energy: -91.344
where: short stacking energy: -49.869
Base-Backbone interact. energy: -0.747
local terms energy: -73.022219
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -1.311
tors. eta vs tors. theta energy: -11.030
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: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -104.996834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.996834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.996834 (E_RNA)
where:
Base-Base interactions energy: -37.604
where: short stacking energy: -29.620
Base-Backbone interact. energy: -0.699
local terms energy: -66.693790
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -112.094004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.094004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.094004 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -44.068
Base-Backbone interact. energy: -0.143
local terms energy: -67.883285
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -107.455366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.455366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.455366 (E_RNA)
where:
Base-Base interactions energy: -51.240
where: short stacking energy: -27.222
Base-Backbone interact. energy: -0.477
local terms energy: -55.738242
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: 3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -322.854548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.854548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.854548 (E_RNA)
where:
Base-Base interactions energy: -227.176
where: short stacking energy: -95.774
Base-Backbone interact. energy: -0.452
local terms energy: -95.226218
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -27.512
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: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -323.716979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.716979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.716979 (E_RNA)
where:
Base-Base interactions energy: -222.879
where: short stacking energy: -92.612
Base-Backbone interact. energy: -0.750
local terms energy: -100.087918
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -26.934
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: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -312.554569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.554569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.554569 (E_RNA)
where:
Base-Base interactions energy: -213.427
where: short stacking energy: -95.718
Base-Backbone interact. energy: -0.222
local terms energy: -98.905755
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -22.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -295.179834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.179834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.179834 (E_RNA)
where:
Base-Base interactions energy: -200.038
where: short stacking energy: -85.847
Base-Backbone interact. energy: -1.177
local terms energy: -93.964987
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -21.983
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: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -240.416552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.416552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.416552 (E_RNA)
where:
Base-Base interactions energy: -154.536
where: short stacking energy: -86.615
Base-Backbone interact. energy: -0.676
local terms energy: -85.204133
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -23.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -194.951281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.951281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.951281 (E_RNA)
where:
Base-Base interactions energy: -107.477
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.063
local terms energy: -87.411373
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -171.956335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.956335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.956335 (E_RNA)
where:
Base-Base interactions energy: -79.850
where: short stacking energy: -43.383
Base-Backbone interact. energy: -0.907
local terms energy: -91.199249
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -122.081996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.081996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.081996 (E_RNA)
where:
Base-Base interactions energy: -56.798
where: short stacking energy: -44.106
Base-Backbone interact. energy: -0.206
local terms energy: -65.078614
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -7.215
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: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -116.570687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.570687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.570687 (E_RNA)
where:
Base-Base interactions energy: -49.279
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.413
local terms energy: -66.878205
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -99.677653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.677653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.677653 (E_RNA)
where:
Base-Base interactions energy: -38.278
where: short stacking energy: -29.592
Base-Backbone interact. energy: -1.603
local terms energy: -59.796858
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -6.701
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: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -332.333475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.333475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.333475 (E_RNA)
where:
Base-Base interactions energy: -231.768
where: short stacking energy: -100.615
Base-Backbone interact. energy: -0.516
local terms energy: -100.048674
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -323.343431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.343431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.343431 (E_RNA)
where:
Base-Base interactions energy: -214.085
where: short stacking energy: -102.407
Base-Backbone interact. energy: 0.322
local terms energy: -109.579619
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -29.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -314.738768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.738768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.738768 (E_RNA)
where:
Base-Base interactions energy: -214.007
where: short stacking energy: -87.413
Base-Backbone interact. energy: -0.299
local terms energy: -100.433080
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -294.619286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.619286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.619286 (E_RNA)
where:
Base-Base interactions energy: -195.743
where: short stacking energy: -90.980
Base-Backbone interact. energy: -0.191
local terms energy: -98.685352
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -24.396
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: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -225.374254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.374254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.374254 (E_RNA)
where:
Base-Base interactions energy: -126.426
where: short stacking energy: -67.166
Base-Backbone interact. energy: 1.096
local terms energy: -100.044060
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -24.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -196.919195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.919195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.919195 (E_RNA)
where:
Base-Base interactions energy: -112.220
where: short stacking energy: -63.169
Base-Backbone interact. energy: 0.446
local terms energy: -85.145194
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -11.801
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: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -128.779889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.779889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.779889 (E_RNA)
where:
Base-Base interactions energy: -50.233
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.237
local terms energy: -78.310360
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -12.240
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: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -110.052801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.052801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.052801 (E_RNA)
where:
Base-Base interactions energy: -49.524
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.624
local terms energy: -59.904659
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -113.841165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.841165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.841165 (E_RNA)
where:
Base-Base interactions energy: -49.555
where: short stacking energy: -38.003
Base-Backbone interact. energy: -0.284
local terms energy: -64.001832
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -11.091
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: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -103.382732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.382732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.382732 (E_RNA)
where:
Base-Base interactions energy: -33.676
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.892
local terms energy: -68.814002
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -316.070917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.070917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.070917 (E_RNA)
where:
Base-Base interactions energy: -212.465
where: short stacking energy: -87.185
Base-Backbone interact. energy: -0.593
local terms energy: -103.012825
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -21.310
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: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -326.041767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.041767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.041767 (E_RNA)
where:
Base-Base interactions energy: -226.229
where: short stacking energy: -98.217
Base-Backbone interact. energy: -0.515
local terms energy: -99.297600
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -26.080
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: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -299.457178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.457178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.457178 (E_RNA)
where:
Base-Base interactions energy: -195.009
where: short stacking energy: -86.758
Base-Backbone interact. energy: -0.989
local terms energy: -103.458408
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -297.195615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.195615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.195615 (E_RNA)
where:
Base-Base interactions energy: -203.650
where: short stacking energy: -90.054
Base-Backbone interact. energy: -1.276
local terms energy: -92.269983
where:
bonds (distance) C4'-P energy: -21.445
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -246.613213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.613213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.613213 (E_RNA)
where:
Base-Base interactions energy: -149.893
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.148
local terms energy: -96.571785
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -180.799255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.799255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.799255 (E_RNA)
where:
Base-Base interactions energy: -100.770
where: short stacking energy: -55.719
Base-Backbone interact. energy: -0.158
local terms energy: -79.871314
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -119.372850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.372850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.372850 (E_RNA)
where:
Base-Base interactions energy: -47.878
where: short stacking energy: -47.878
Base-Backbone interact. energy: -0.123
local terms energy: -71.371459
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -119.818037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.818037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.818037 (E_RNA)
where:
Base-Base interactions energy: -52.307
where: short stacking energy: -21.537
Base-Backbone interact. energy: 1.551
local terms energy: -69.061613
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -126.949528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.949528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.949528 (E_RNA)
where:
Base-Base interactions energy: -52.482
where: short stacking energy: -47.501
Base-Backbone interact. energy: -0.047
local terms energy: -74.420508
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -12.743
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: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -102.945585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.945585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.945585 (E_RNA)
where:
Base-Base interactions energy: -46.716
where: short stacking energy: -44.408
Base-Backbone interact. energy: -0.124
local terms energy: -56.105703
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -6.729
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: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -324.918062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.918062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.918062 (E_RNA)
where:
Base-Base interactions energy: -224.775
where: short stacking energy: -99.248
Base-Backbone interact. energy: -0.142
local terms energy: -100.002043
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -22.668
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -27.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -325.180985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.180985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.180985 (E_RNA)
where:
Base-Base interactions energy: -218.107
where: short stacking energy: -96.452
Base-Backbone interact. energy: -0.511
local terms energy: -106.563274
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -27.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -292.309732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.309732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.309732 (E_RNA)
where:
Base-Base interactions energy: -195.747
where: short stacking energy: -93.348
Base-Backbone interact. energy: -0.582
local terms energy: -95.980789
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -25.851
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: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -294.923261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.923261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.923261 (E_RNA)
where:
Base-Base interactions energy: -193.889
where: short stacking energy: -84.089
Base-Backbone interact. energy: 0.095
local terms energy: -101.129349
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -246.445920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.445920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.445920 (E_RNA)
where:
Base-Base interactions energy: -151.258
where: short stacking energy: -82.239
Base-Backbone interact. energy: 2.637
local terms energy: -97.825073
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -185.929395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.929395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.929395 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -66.427
Base-Backbone interact. energy: -0.284
local terms energy: -70.812379
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -146.398005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.398005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.398005 (E_RNA)
where:
Base-Base interactions energy: -83.119
where: short stacking energy: -47.793
Base-Backbone interact. energy: -0.617
local terms energy: -62.661791
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -125.027714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.027714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.027714 (E_RNA)
where:
Base-Base interactions energy: -50.907
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.159
local terms energy: -73.961959
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -120.550461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.550461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.550461 (E_RNA)
where:
Base-Base interactions energy: -49.575
where: short stacking energy: -49.575
Base-Backbone interact. energy: 3.278
local terms energy: -74.253473
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -100.772803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.772803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.772803 (E_RNA)
where:
Base-Base interactions energy: -36.009
where: short stacking energy: -31.236
Base-Backbone interact. energy: -0.047
local terms energy: -64.715990
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -1.025
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: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -328.405967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.405967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.405967 (E_RNA)
where:
Base-Base interactions energy: -223.518
where: short stacking energy: -100.170
Base-Backbone interact. energy: -0.195
local terms energy: -104.693205
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -22.533
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -26.070
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: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -312.381114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.381114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.381114 (E_RNA)
where:
Base-Base interactions energy: -211.542
where: short stacking energy: -100.514
Base-Backbone interact. energy: -0.232
local terms energy: -100.607339
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -288.793086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.793086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.793086 (E_RNA)
where:
Base-Base interactions energy: -192.701
where: short stacking energy: -80.024
Base-Backbone interact. energy: -1.075
local terms energy: -95.017081
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -21.329
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: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -281.378114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.378114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.378114 (E_RNA)
where:
Base-Base interactions energy: -194.157
where: short stacking energy: -87.271
Base-Backbone interact. energy: -0.653
local terms energy: -86.568196
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -212.533834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.533834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.533834 (E_RNA)
where:
Base-Base interactions energy: -114.788
where: short stacking energy: -76.668
Base-Backbone interact. energy: -0.182
local terms energy: -97.563595
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -18.061
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: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -243.866756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.866756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.866756 (E_RNA)
where:
Base-Base interactions energy: -148.240
where: short stacking energy: -82.483
Base-Backbone interact. energy: -0.128
local terms energy: -95.498525
where:
bonds (distance) C4'-P energy: -24.506
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -138.475510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.475510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.475510 (E_RNA)
where:
Base-Base interactions energy: -57.490
where: short stacking energy: -47.755
Base-Backbone interact. energy: -0.246
local terms energy: -80.739332
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -13.973
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: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -127.324049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.324049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.324049 (E_RNA)
where:
Base-Base interactions energy: -62.380
where: short stacking energy: -44.454
Base-Backbone interact. energy: -0.366
local terms energy: -64.578292
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -1.898
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: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -100.677775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.677775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.677775 (E_RNA)
where:
Base-Base interactions energy: -31.567
where: short stacking energy: -31.567
Base-Backbone interact. energy: 0.266
local terms energy: -69.376298
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -1.626
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: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -104.382537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.382537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.382537 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -30.294
Base-Backbone interact. energy: 0.013
local terms energy: -65.669186
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -4.143
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: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -330.491474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.491474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.491474 (E_RNA)
where:
Base-Base interactions energy: -220.854
where: short stacking energy: -96.394
Base-Backbone interact. energy: -0.754
local terms energy: -108.883920
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -27.070
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: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -308.789546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.789546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.789546 (E_RNA)
where:
Base-Base interactions energy: -208.022
where: short stacking energy: -92.535
Base-Backbone interact. energy: -0.325
local terms energy: -100.442409
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -15.706
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: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -315.175533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.175533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.175533 (E_RNA)
where:
Base-Base interactions energy: -210.274
where: short stacking energy: -96.773
Base-Backbone interact. energy: -1.004
local terms energy: -103.896960
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -27.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -286.746044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.746044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.746044 (E_RNA)
where:
Base-Base interactions energy: -191.296
where: short stacking energy: -90.994
Base-Backbone interact. energy: -0.058
local terms energy: -95.391915
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -194.349348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.349348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.349348 (E_RNA)
where:
Base-Base interactions energy: -109.507
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.036
local terms energy: -84.806836
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -9.281
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: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -238.224333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.224333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.224333 (E_RNA)
where:
Base-Base interactions energy: -138.417
where: short stacking energy: -79.972
Base-Backbone interact. energy: -0.294
local terms energy: -99.513582
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -15.976
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: 7, replica: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -127.602774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.602774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.602774 (E_RNA)
where:
Base-Base interactions energy: -64.346
where: short stacking energy: -43.504
Base-Backbone interact. energy: -0.390
local terms energy: -62.866200
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -0.641
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: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -128.419133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.419133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.419133 (E_RNA)
where:
Base-Base interactions energy: -63.222
where: short stacking energy: -44.850
Base-Backbone interact. energy: -1.528
local terms energy: -63.668582
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -2.098
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: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -110.710167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.710167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.710167 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -37.033
Base-Backbone interact. energy: -0.085
local terms energy: -73.591396
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -23.388
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -5.955
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: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -96.473653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.473653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.473653 (E_RNA)
where:
Base-Base interactions energy: -32.093
where: short stacking energy: -25.498
Base-Backbone interact. energy: -0.294
local terms energy: -64.086253
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -1.402
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: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -318.621746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.621746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.621746 (E_RNA)
where:
Base-Base interactions energy: -221.330
where: short stacking energy: -91.949
Base-Backbone interact. energy: 2.331
local terms energy: -99.623301
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -18.519
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: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -294.740747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.740747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.740747 (E_RNA)
where:
Base-Base interactions energy: -197.791
where: short stacking energy: -87.559
Base-Backbone interact. energy: -0.384
local terms energy: -96.566284
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -306.743643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.743643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.743643 (E_RNA)
where:
Base-Base interactions energy: -209.834
where: short stacking energy: -83.089
Base-Backbone interact. energy: -0.619
local terms energy: -96.290773
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -19.181
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: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -294.759492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.759492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.759492 (E_RNA)
where:
Base-Base interactions energy: -201.766
where: short stacking energy: -98.811
Base-Backbone interact. energy: -0.069
local terms energy: -92.925233
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -239.028319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.028319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.028319 (E_RNA)
where:
Base-Base interactions energy: -147.825
where: short stacking energy: -74.214
Base-Backbone interact. energy: -0.151
local terms energy: -91.052181
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -178.220928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.220928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.220928 (E_RNA)
where:
Base-Base interactions energy: -103.173
where: short stacking energy: -62.895
Base-Backbone interact. energy: -1.431
local terms energy: -73.617206
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -137.538850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.538850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.538850 (E_RNA)
where:
Base-Base interactions energy: -58.681
where: short stacking energy: -44.036
Base-Backbone interact. energy: -0.258
local terms energy: -78.600023
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -24.189
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -5.044
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: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -115.959753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.959753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.959753 (E_RNA)
where:
Base-Base interactions energy: -65.539
where: short stacking energy: -50.612
Base-Backbone interact. energy: -0.128
local terms energy: -50.292893
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: 1.366
tors. eta vs tors. theta energy: -2.627
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: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -108.846509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.846509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.846509 (E_RNA)
where:
Base-Base interactions energy: -38.873
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.572
local terms energy: -69.401887
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -102.040729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.040729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.040729 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -24.536
Base-Backbone interact. energy: -0.287
local terms energy: -72.738690
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: 1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -326.983485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.983485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.983485 (E_RNA)
where:
Base-Base interactions energy: -223.626
where: short stacking energy: -94.628
Base-Backbone interact. energy: -0.381
local terms energy: -102.976908
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -23.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -324.680824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.680824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.680824 (E_RNA)
where:
Base-Base interactions energy: -226.812
where: short stacking energy: -87.050
Base-Backbone interact. energy: -0.732
local terms energy: -97.136736
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -23.221
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: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -303.609121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.609121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.609121 (E_RNA)
where:
Base-Base interactions energy: -204.211
where: short stacking energy: -79.498
Base-Backbone interact. energy: 0.003
local terms energy: -99.400786
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -19.860
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: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -283.664528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.664528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.664528 (E_RNA)
where:
Base-Base interactions energy: -193.386
where: short stacking energy: -92.025
Base-Backbone interact. energy: -0.205
local terms energy: -90.073771
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -239.434547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.434547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.434547 (E_RNA)
where:
Base-Base interactions energy: -156.841
where: short stacking energy: -65.730
Base-Backbone interact. energy: -0.685
local terms energy: -81.908631
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -185.287305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.287305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.287305 (E_RNA)
where:
Base-Base interactions energy: -99.092
where: short stacking energy: -50.531
Base-Backbone interact. energy: -1.085
local terms energy: -85.110919
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -6.191
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: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -125.365889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.365889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.365889 (E_RNA)
where:
Base-Base interactions energy: -56.477
where: short stacking energy: -46.572
Base-Backbone interact. energy: -0.125
local terms energy: -68.763662
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -109.098939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.098939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.098939 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -30.475
Base-Backbone interact. energy: 1.109
local terms energy: -76.833301
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -6.911
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: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -102.772916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.772916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.772916 (E_RNA)
where:
Base-Base interactions energy: -41.140
where: short stacking energy: -35.273
Base-Backbone interact. energy: -0.183
local terms energy: -61.449993
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -94.141667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141667 (E_RNA)
where:
Base-Base interactions energy: -40.065
where: short stacking energy: -28.094
Base-Backbone interact. energy: -0.309
local terms energy: -53.767831
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: 2.682
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: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -332.728053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.728053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.728053 (E_RNA)
where:
Base-Base interactions energy: -234.476
where: short stacking energy: -96.009
Base-Backbone interact. energy: -0.344
local terms energy: -97.907761
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -26.289
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: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -326.365974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.365974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.365974 (E_RNA)
where:
Base-Base interactions energy: -224.529
where: short stacking energy: -97.513
Base-Backbone interact. energy: -0.853
local terms energy: -100.983317
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -295.390832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.390832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.390832 (E_RNA)
where:
Base-Base interactions energy: -196.245
where: short stacking energy: -80.293
Base-Backbone interact. energy: -0.385
local terms energy: -98.760935
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -286.950198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.950198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.950198 (E_RNA)
where:
Base-Base interactions energy: -193.894
where: short stacking energy: -79.934
Base-Backbone interact. energy: -1.253
local terms energy: -91.803215
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -18.597
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: 9
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -278.271253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.271253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.271253 (E_RNA)
where:
Base-Base interactions energy: -176.337
where: short stacking energy: -95.982
Base-Backbone interact. energy: -0.274
local terms energy: -101.659999
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -28.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -184.036168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.036168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.036168 (E_RNA)
where:
Base-Base interactions energy: -103.017
where: short stacking energy: -48.455
Base-Backbone interact. energy: 1.040
local terms energy: -82.059211
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -164.558112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.558112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.558112 (E_RNA)
where:
Base-Base interactions energy: -84.319
where: short stacking energy: -51.512
Base-Backbone interact. energy: -0.576
local terms energy: -79.662796
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -122.142372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.142372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.142372 (E_RNA)
where:
Base-Base interactions energy: -44.359
where: short stacking energy: -44.359
Base-Backbone interact. energy: 1.486
local terms energy: -79.269239
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -4.414
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: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -139.128714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.128714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.128714 (E_RNA)
where:
Base-Base interactions energy: -77.321
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.428
local terms energy: -61.379819
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -100.792344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.792344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.792344 (E_RNA)
where:
Base-Base interactions energy: -41.051
where: short stacking energy: -30.386
Base-Backbone interact. energy: -0.224
local terms energy: -59.517740
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: 5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -325.875082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.875082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.875082 (E_RNA)
where:
Base-Base interactions energy: -222.019
where: short stacking energy: -95.004
Base-Backbone interact. energy: -0.647
local terms energy: -103.208929
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -14.266
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: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -308.801980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.801980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.801980 (E_RNA)
where:
Base-Base interactions energy: -205.354
where: short stacking energy: -101.214
Base-Backbone interact. energy: -0.117
local terms energy: -103.330935
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -26.954
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: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -313.989790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.989790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.989790 (E_RNA)
where:
Base-Base interactions energy: -210.060
where: short stacking energy: -91.562
Base-Backbone interact. energy: -0.254
local terms energy: -103.675087
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -28.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -287.245757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.245757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.245757 (E_RNA)
where:
Base-Base interactions energy: -202.395
where: short stacking energy: -78.895
Base-Backbone interact. energy: -0.899
local terms energy: -83.951305
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -273.157953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.157953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.157953 (E_RNA)
where:
Base-Base interactions energy: -173.849
where: short stacking energy: -83.361
Base-Backbone interact. energy: -0.257
local terms energy: -99.052456
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -177.384125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.384125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.384125 (E_RNA)
where:
Base-Base interactions energy: -88.230
where: short stacking energy: -60.962
Base-Backbone interact. energy: -0.329
local terms energy: -88.825704
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -121.881857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.881857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.881857 (E_RNA)
where:
Base-Base interactions energy: -47.169
where: short stacking energy: -42.871
Base-Backbone interact. energy: -1.162
local terms energy: -73.550973
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -5.667
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: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -122.132972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.132972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.132972 (E_RNA)
where:
Base-Base interactions energy: -54.863
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.529
local terms energy: -66.740304
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -124.753924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.753924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.753924 (E_RNA)
where:
Base-Base interactions energy: -62.915
where: short stacking energy: -38.438
Base-Backbone interact. energy: -0.184
local terms energy: -61.655145
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -110.780578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.780578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.780578 (E_RNA)
where:
Base-Base interactions energy: -51.631
where: short stacking energy: -29.541
Base-Backbone interact. energy: 0.242
local terms energy: -59.391955
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: 3.681
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: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -315.419671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.419671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.419671 (E_RNA)
where:
Base-Base interactions energy: -212.338
where: short stacking energy: -87.757
Base-Backbone interact. energy: 0.146
local terms energy: -103.227239
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -326.211593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.211593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.211593 (E_RNA)
where:
Base-Base interactions energy: -227.859
where: short stacking energy: -105.993
Base-Backbone interact. energy: -0.183
local terms energy: -98.168862
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -24.737
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: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -297.170154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.170154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.170154 (E_RNA)
where:
Base-Base interactions energy: -188.264
where: short stacking energy: -80.271
Base-Backbone interact. energy: -0.121
local terms energy: -108.784736
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -22.683
flat angles C4'-P-C4' energy: -24.686
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -27.369
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: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -293.725742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.725742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.725742 (E_RNA)
where:
Base-Base interactions energy: -195.945
where: short stacking energy: -90.044
Base-Backbone interact. energy: -1.487
local terms energy: -96.293465
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -22.039
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: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -259.569765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.569765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.569765 (E_RNA)
where:
Base-Base interactions energy: -164.878
where: short stacking energy: -73.695
Base-Backbone interact. energy: -0.350
local terms energy: -94.341620
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -25.281
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: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -188.884158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.884158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.884158 (E_RNA)
where:
Base-Base interactions energy: -107.898
where: short stacking energy: -72.393
Base-Backbone interact. energy: -0.138
local terms energy: -80.848510
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -10.903
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: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -141.094420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.094420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.094420 (E_RNA)
where:
Base-Base interactions energy: -60.181
where: short stacking energy: -51.844
Base-Backbone interact. energy: -0.057
local terms energy: -80.856325
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -119.150247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.150247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.150247 (E_RNA)
where:
Base-Base interactions energy: -55.321
where: short stacking energy: -40.834
Base-Backbone interact. energy: 2.843
local terms energy: -66.672179
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -129.207545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.207545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.207545 (E_RNA)
where:
Base-Base interactions energy: -61.939
where: short stacking energy: -42.319
Base-Backbone interact. energy: -0.250
local terms energy: -67.018461
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -129.107656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.107656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.107656 (E_RNA)
where:
Base-Base interactions energy: -64.687
where: short stacking energy: -42.001
Base-Backbone interact. energy: 3.593
local terms energy: -68.013040
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -312.984725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.984725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.984725 (E_RNA)
where:
Base-Base interactions energy: -209.986
where: short stacking energy: -91.857
Base-Backbone interact. energy: -1.152
local terms energy: -101.847304
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -314.829907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.829907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.829907 (E_RNA)
where:
Base-Base interactions energy: -208.510
where: short stacking energy: -90.721
Base-Backbone interact. energy: -0.228
local terms energy: -106.092559
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -28.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -317.393381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.393381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.393381 (E_RNA)
where:
Base-Base interactions energy: -219.712
where: short stacking energy: -88.561
Base-Backbone interact. energy: -0.363
local terms energy: -97.319293
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -15.405
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: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -297.545720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.545720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.545720 (E_RNA)
where:
Base-Base interactions energy: -196.236
where: short stacking energy: -94.301
Base-Backbone interact. energy: -0.715
local terms energy: -100.594582
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -26.423
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: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -277.956556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.956556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.956556 (E_RNA)
where:
Base-Base interactions energy: -188.458
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.785
local terms energy: -88.713162
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -21.852
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: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -181.726391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.726391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.726391 (E_RNA)
where:
Base-Base interactions energy: -92.642
where: short stacking energy: -61.586
Base-Backbone interact. energy: -0.077
local terms energy: -89.007316
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -132.147980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.147980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.147980 (E_RNA)
where:
Base-Base interactions energy: -59.686
where: short stacking energy: -40.873
Base-Backbone interact. energy: -0.325
local terms energy: -72.136880
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -14.771
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: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -123.393388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.393388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.393388 (E_RNA)
where:
Base-Base interactions energy: -49.164
where: short stacking energy: -46.937
Base-Backbone interact. energy: -1.076
local terms energy: -73.153209
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -102.606652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.606652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.606652 (E_RNA)
where:
Base-Base interactions energy: -40.033
where: short stacking energy: -35.276
Base-Backbone interact. energy: -0.245
local terms energy: -62.329210
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: 2.770
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: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -115.543989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.543989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.543989 (E_RNA)
where:
Base-Base interactions energy: -43.466
where: short stacking energy: -41.378
Base-Backbone interact. energy: 1.037
local terms energy: -73.114885
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -22.376
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -322.523977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.523977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.523977 (E_RNA)
where:
Base-Base interactions energy: -221.991
where: short stacking energy: -96.829
Base-Backbone interact. energy: -0.361
local terms energy: -100.171561
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -311.017997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.017997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.017997 (E_RNA)
where:
Base-Base interactions energy: -213.356
where: short stacking energy: -94.462
Base-Backbone interact. energy: -0.347
local terms energy: -97.315291
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -26.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -300.451011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.451011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.451011 (E_RNA)
where:
Base-Base interactions energy: -207.515
where: short stacking energy: -90.480
Base-Backbone interact. energy: -0.436
local terms energy: -92.499704
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -24.970
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: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -291.205641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.205641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.205641 (E_RNA)
where:
Base-Base interactions energy: -199.470
where: short stacking energy: -85.364
Base-Backbone interact. energy: 1.056
local terms energy: -92.791509
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -14.276
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: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -274.246565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.246565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.246565 (E_RNA)
where:
Base-Base interactions energy: -182.868
where: short stacking energy: -75.181
Base-Backbone interact. energy: 0.563
local terms energy: -91.941895
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -190.102355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.102355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.102355 (E_RNA)
where:
Base-Base interactions energy: -113.882
where: short stacking energy: -71.723
Base-Backbone interact. energy: -0.202
local terms energy: -76.019122
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -134.191875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.191875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.191875 (E_RNA)
where:
Base-Base interactions energy: -54.195
where: short stacking energy: -39.303
Base-Backbone interact. energy: -0.471
local terms energy: -79.526407
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -111.536385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.536385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.536385 (E_RNA)
where:
Base-Base interactions energy: -43.504
where: short stacking energy: -29.239
Base-Backbone interact. energy: -0.841
local terms energy: -67.191802
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -23.721
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: 3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -110.058200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.058200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.058200 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.118
local terms energy: -70.151505
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -109.305840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.305840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.305840 (E_RNA)
where:
Base-Base interactions energy: -46.427
where: short stacking energy: -34.428
Base-Backbone interact. energy: 0.316
local terms energy: -63.194688
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: 0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -320.126707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.126707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.126707 (E_RNA)
where:
Base-Base interactions energy: -210.439
where: short stacking energy: -102.339
Base-Backbone interact. energy: 0.222
local terms energy: -109.909566
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -27.471
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: 447
Temperature: 0.950000
Total energy: -311.693059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.693059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.693059 (E_RNA)
where:
Base-Base interactions energy: -211.849
where: short stacking energy: -92.903
Base-Backbone interact. energy: -0.445
local terms energy: -99.399126
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -301.074172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.074172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.074172 (E_RNA)
where:
Base-Base interactions energy: -196.162
where: short stacking energy: -93.617
Base-Backbone interact. energy: -0.199
local terms energy: -104.712524
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -24.679
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: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -284.776684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.776684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.776684 (E_RNA)
where:
Base-Base interactions energy: -190.763
where: short stacking energy: -89.582
Base-Backbone interact. energy: -0.148
local terms energy: -93.865743
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -267.326353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.326353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.326353 (E_RNA)
where:
Base-Base interactions energy: -171.923
where: short stacking energy: -76.606
Base-Backbone interact. energy: -0.278
local terms energy: -95.125498
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -18.937
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: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -147.877549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.877549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.877549 (E_RNA)
where:
Base-Base interactions energy: -78.950
where: short stacking energy: -47.385
Base-Backbone interact. energy: -0.177
local terms energy: -68.750913
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -10.787
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: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -169.927563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.927563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.927563 (E_RNA)
where:
Base-Base interactions energy: -95.248
where: short stacking energy: -61.226
Base-Backbone interact. energy: 0.374
local terms energy: -75.053321
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -107.481179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.481179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.481179 (E_RNA)
where:
Base-Base interactions energy: -37.617
where: short stacking energy: -36.454
Base-Backbone interact. energy: -0.091
local terms energy: -69.774074
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -2.107
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: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -110.233645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.233645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.233645 (E_RNA)
where:
Base-Base interactions energy: -48.505
where: short stacking energy: -43.723
Base-Backbone interact. energy: -0.808
local terms energy: -60.920851
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -1.468
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: 447
Temperature: 1.350000
Total energy: -110.823456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.823456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.823456 (E_RNA)
where:
Base-Base interactions energy: -55.065
where: short stacking energy: -32.714
Base-Backbone interact. energy: -0.093
local terms energy: -55.665959
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -313.441232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.441232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.441232 (E_RNA)
where:
Base-Base interactions energy: -208.829
where: short stacking energy: -90.032
Base-Backbone interact. energy: -0.572
local terms energy: -104.040490
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -305.631367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.631367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.631367 (E_RNA)
where:
Base-Base interactions energy: -201.153
where: short stacking energy: -88.089
Base-Backbone interact. energy: -0.148
local terms energy: -104.329996
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -24.738
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: 448
Temperature: 1.000000
Total energy: -308.845943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.845943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.845943 (E_RNA)
where:
Base-Base interactions energy: -205.866
where: short stacking energy: -101.482
Base-Backbone interact. energy: -0.012
local terms energy: -102.968138
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -25.382
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: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -284.877262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.877262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.877262 (E_RNA)
where:
Base-Base interactions energy: -179.618
where: short stacking energy: -81.630
Base-Backbone interact. energy: 0.474
local terms energy: -105.732763
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -23.099
flat angles C4'-P-C4' energy: -23.771
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -22.783
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: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -280.384352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.384352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.384352 (E_RNA)
where:
Base-Base interactions energy: -182.498
where: short stacking energy: -89.960
Base-Backbone interact. energy: -0.212
local terms energy: -97.674506
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -15.829
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: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -165.326378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.326378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.326378 (E_RNA)
where:
Base-Base interactions energy: -83.597
where: short stacking energy: -60.291
Base-Backbone interact. energy: -1.000
local terms energy: -80.730020
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -122.218987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.218987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.218987 (E_RNA)
where:
Base-Base interactions energy: -54.648
where: short stacking energy: -51.881
Base-Backbone interact. energy: -0.137
local terms energy: -67.434143
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -2.309
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -117.418105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.418105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.418105 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -32.830
Base-Backbone interact. energy: 0.100
local terms energy: -80.616716
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -99.030286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.030286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.030286 (E_RNA)
where:
Base-Base interactions energy: -36.582
where: short stacking energy: -24.145
Base-Backbone interact. energy: -0.521
local terms energy: -61.927020
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -109.514975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.514975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.514975 (E_RNA)
where:
Base-Base interactions energy: -43.150
where: short stacking energy: -39.597
Base-Backbone interact. energy: 1.883
local terms energy: -68.248078
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -6.964
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: 449
Temperature: 0.900000
Total energy: -308.428577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.428577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.428577 (E_RNA)
where:
Base-Base interactions energy: -204.215
where: short stacking energy: -92.642
Base-Backbone interact. energy: -1.383
local terms energy: -102.830307
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -309.224858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.224858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.224858 (E_RNA)
where:
Base-Base interactions energy: -204.708
where: short stacking energy: -92.411
Base-Backbone interact. energy: -0.783
local terms energy: -103.733512
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -23.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -294.625051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.625051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.625051 (E_RNA)
where:
Base-Base interactions energy: -198.295
where: short stacking energy: -92.421
Base-Backbone interact. energy: -0.193
local terms energy: -96.137057
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -11.354
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: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -290.948352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.948352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.948352 (E_RNA)
where:
Base-Base interactions energy: -190.887
where: short stacking energy: -95.421
Base-Backbone interact. energy: -0.718
local terms energy: -99.343756
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -26.642
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: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -286.110570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.110570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.110570 (E_RNA)
where:
Base-Base interactions energy: -188.882
where: short stacking energy: -83.898
Base-Backbone interact. energy: 0.251
local terms energy: -97.479250
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -26.559
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: 449
Temperature: 1.150000
Total energy: -126.859750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.859750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.859750 (E_RNA)
where:
Base-Base interactions energy: -47.874
where: short stacking energy: -43.050
Base-Backbone interact. energy: -0.595
local terms energy: -78.390816
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -119.713223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.713223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.713223 (E_RNA)
where:
Base-Base interactions energy: -43.195
where: short stacking energy: -38.355
Base-Backbone interact. energy: 0.573
local terms energy: -77.091414
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -117.059999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.059999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.059999 (E_RNA)
where:
Base-Base interactions energy: -50.946
where: short stacking energy: -40.521
Base-Backbone interact. energy: -0.316
local terms energy: -65.798500
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -10.574
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: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -147.485438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.485438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.485438 (E_RNA)
where:
Base-Base interactions energy: -68.509
where: short stacking energy: -57.025
Base-Backbone interact. energy: -0.928
local terms energy: -78.048338
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -97.175704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.175704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.175704 (E_RNA)
where:
Base-Base interactions energy: -44.663
where: short stacking energy: -24.691
Base-Backbone interact. energy: -0.831
local terms energy: -51.682171
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -298.821278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.821278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.821278 (E_RNA)
where:
Base-Base interactions energy: -196.442
where: short stacking energy: -101.403
Base-Backbone interact. energy: -0.144
local terms energy: -102.235261
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -311.282462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.282462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.282462 (E_RNA)
where:
Base-Base interactions energy: -204.078
where: short stacking energy: -95.279
Base-Backbone interact. energy: -0.520
local terms energy: -106.684986
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -295.959950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.959950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.959950 (E_RNA)
where:
Base-Base interactions energy: -183.930
where: short stacking energy: -87.639
Base-Backbone interact. energy: -0.930
local terms energy: -111.100408
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -25.862
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: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -285.461905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.461905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.461905 (E_RNA)
where:
Base-Base interactions energy: -189.211
where: short stacking energy: -87.727
Base-Backbone interact. energy: -0.424
local terms energy: -95.826916
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -14.353
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: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -293.622018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.622018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.622018 (E_RNA)
where:
Base-Base interactions energy: -199.520
where: short stacking energy: -92.877
Base-Backbone interact. energy: -0.118
local terms energy: -93.983722
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -135.187616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.187616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.187616 (E_RNA)
where:
Base-Base interactions energy: -67.657
where: short stacking energy: -52.284
Base-Backbone interact. energy: 3.021
local terms energy: -70.551028
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -126.932458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.932458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.932458 (E_RNA)
where:
Base-Base interactions energy: -58.697
where: short stacking energy: -53.337
Base-Backbone interact. energy: 2.429
local terms energy: -70.664114
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -119.177645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.177645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.177645 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -36.117
Base-Backbone interact. energy: 1.039
local terms energy: -72.919348
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.543
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: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -108.389205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.389205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.389205 (E_RNA)
where:
Base-Base interactions energy: -42.491
where: short stacking energy: -35.635
Base-Backbone interact. energy: -0.286
local terms energy: -65.612128
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -0.277
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: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -101.491429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.491429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.491429 (E_RNA)
where:
Base-Base interactions energy: -41.982
where: short stacking energy: -36.290
Base-Backbone interact. energy: 0.042
local terms energy: -59.550752
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -289.640640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.640640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.640640 (E_RNA)
where:
Base-Base interactions energy: -190.981
where: short stacking energy: -85.895
Base-Backbone interact. energy: -0.053
local terms energy: -98.607120
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -305.390022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.390022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.390022 (E_RNA)
where:
Base-Base interactions energy: -208.068
where: short stacking energy: -87.391
Base-Backbone interact. energy: -0.502
local terms energy: -96.819851
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -16.803
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: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -290.369762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.369762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.369762 (E_RNA)
where:
Base-Base interactions energy: -191.257
where: short stacking energy: -76.447
Base-Backbone interact. energy: 0.644
local terms energy: -99.756953
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -279.641598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.641598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.641598 (E_RNA)
where:
Base-Base interactions energy: -188.701
where: short stacking energy: -75.508
Base-Backbone interact. energy: -1.027
local terms energy: -89.912936
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -21.518
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -15.983
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: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -285.023469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.023469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.023469 (E_RNA)
where:
Base-Base interactions energy: -186.747
where: short stacking energy: -82.770
Base-Backbone interact. energy: 0.077
local terms energy: -98.353352
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -24.108
flat angles P-C4'-P energy: -17.079
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: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -131.620618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.620618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.620618 (E_RNA)
where:
Base-Base interactions energy: -58.529
where: short stacking energy: -49.473
Base-Backbone interact. energy: -0.416
local terms energy: -72.675555
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -3.631
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: 451
Temperature: 1.200000
Total energy: -111.103344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.103344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.103344 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -30.901
Base-Backbone interact. energy: -0.327
local terms energy: -75.008449
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -117.678742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.678742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.678742 (E_RNA)
where:
Base-Base interactions energy: -55.124
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.248
local terms energy: -62.306991
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: 5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -117.043573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.043573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.043573 (E_RNA)
where:
Base-Base interactions energy: -37.896
where: short stacking energy: -38.696
Base-Backbone interact. energy: -0.229
local terms energy: -78.918342
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -106.735151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.735151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.735151 (E_RNA)
where:
Base-Base interactions energy: -32.565
where: short stacking energy: -30.351
Base-Backbone interact. energy: -0.126
local terms energy: -74.043632
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -290.516458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.516458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.516458 (E_RNA)
where:
Base-Base interactions energy: -188.973
where: short stacking energy: -88.165
Base-Backbone interact. energy: 2.884
local terms energy: -104.427745
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -24.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -309.342041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.342041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.342041 (E_RNA)
where:
Base-Base interactions energy: -212.955
where: short stacking energy: -87.690
Base-Backbone interact. energy: -0.507
local terms energy: -95.880005
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -315.748723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.748723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.748723 (E_RNA)
where:
Base-Base interactions energy: -215.815
where: short stacking energy: -86.262
Base-Backbone interact. energy: -0.797
local terms energy: -99.136311
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -24.410
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: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -289.352220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.352220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.352220 (E_RNA)
where:
Base-Base interactions energy: -193.891
where: short stacking energy: -81.154
Base-Backbone interact. energy: -0.502
local terms energy: -94.959029
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -24.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -286.945999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.945999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.945999 (E_RNA)
where:
Base-Base interactions energy: -190.948
where: short stacking energy: -89.206
Base-Backbone interact. energy: -0.172
local terms energy: -95.826241
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -121.971041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.971041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.971041 (E_RNA)
where:
Base-Base interactions energy: -42.180
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.278
local terms energy: -79.513589
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -131.798735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.798735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.798735 (E_RNA)
where:
Base-Base interactions energy: -62.725
where: short stacking energy: -40.250
Base-Backbone interact. energy: -0.336
local terms energy: -68.737119
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -118.273328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.273328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.273328 (E_RNA)
where:
Base-Base interactions energy: -48.364
where: short stacking energy: -37.870
Base-Backbone interact. energy: -0.416
local terms energy: -69.493214
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -2.322
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: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -107.510941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.510941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.510941 (E_RNA)
where:
Base-Base interactions energy: -46.393
where: short stacking energy: -46.393
Base-Backbone interact. energy: 0.140
local terms energy: -61.258148
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -107.133665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.133665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.133665 (E_RNA)
where:
Base-Base interactions energy: -46.699
where: short stacking energy: -36.647
Base-Backbone interact. energy: -0.220
local terms energy: -60.214303
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -304.536639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.536639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.536639 (E_RNA)
where:
Base-Base interactions energy: -201.518
where: short stacking energy: -87.879
Base-Backbone interact. energy: 0.436
local terms energy: -103.453929
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -16.237
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: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -312.587844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.587844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.587844 (E_RNA)
where:
Base-Base interactions energy: -209.284
where: short stacking energy: -91.559
Base-Backbone interact. energy: -1.144
local terms energy: -102.159278
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -25.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -294.355117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.355117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.355117 (E_RNA)
where:
Base-Base interactions energy: -198.190
where: short stacking energy: -79.476
Base-Backbone interact. energy: 0.000
local terms energy: -96.165309
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -295.364705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.364705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.364705 (E_RNA)
where:
Base-Base interactions energy: -191.953
where: short stacking energy: -86.309
Base-Backbone interact. energy: -0.230
local terms energy: -103.181455
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -24.485
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: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -274.875462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.875462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.875462 (E_RNA)
where:
Base-Base interactions energy: -180.852
where: short stacking energy: -86.057
Base-Backbone interact. energy: -0.290
local terms energy: -93.733763
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -146.099022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.099022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.099022 (E_RNA)
where:
Base-Base interactions energy: -76.230
where: short stacking energy: -53.885
Base-Backbone interact. energy: -0.989
local terms energy: -68.879693
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -10.935
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: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -120.621107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.621107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.621107 (E_RNA)
where:
Base-Base interactions energy: -43.217
where: short stacking energy: -43.217
Base-Backbone interact. energy: -0.064
local terms energy: -77.340703
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -3.844
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: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -139.303389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.303389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.303389 (E_RNA)
where:
Base-Base interactions energy: -58.760
where: short stacking energy: -41.476
Base-Backbone interact. energy: 0.204
local terms energy: -80.746951
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -13.677
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: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -110.830926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.830926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.830926 (E_RNA)
where:
Base-Base interactions energy: -45.140
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.292
local terms energy: -65.398664
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -108.541453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.541453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.541453 (E_RNA)
where:
Base-Base interactions energy: -41.952
where: short stacking energy: -28.558
Base-Backbone interact. energy: -1.271
local terms energy: -65.318208
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -312.830706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.830706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.830706 (E_RNA)
where:
Base-Base interactions energy: -204.316
where: short stacking energy: -85.926
Base-Backbone interact. energy: -0.238
local terms energy: -108.277144
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -298.555098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.555098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.555098 (E_RNA)
where:
Base-Base interactions energy: -203.785
where: short stacking energy: -98.382
Base-Backbone interact. energy: 0.658
local terms energy: -95.428298
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -24.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -292.973628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.973628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.973628 (E_RNA)
where:
Base-Base interactions energy: -196.070
where: short stacking energy: -73.439
Base-Backbone interact. energy: -0.399
local terms energy: -96.504325
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -15.267
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -289.346902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.346902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.346902 (E_RNA)
where:
Base-Base interactions energy: -205.033
where: short stacking energy: -87.987
Base-Backbone interact. energy: -0.940
local terms energy: -83.373824
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -14.203
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: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -281.769571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.769571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.769571 (E_RNA)
where:
Base-Base interactions energy: -185.788
where: short stacking energy: -88.022
Base-Backbone interact. energy: -0.168
local terms energy: -95.814086
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -27.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -140.507682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.507682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.507682 (E_RNA)
where:
Base-Base interactions energy: -76.103
where: short stacking energy: -45.877
Base-Backbone interact. energy: -0.918
local terms energy: -63.485907
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -6.966
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: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -150.335659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.335659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.335659 (E_RNA)
where:
Base-Base interactions energy: -81.318
where: short stacking energy: -47.914
Base-Backbone interact. energy: -0.249
local terms energy: -68.768523
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -11.423
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: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -126.864869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.864869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.864869 (E_RNA)
where:
Base-Base interactions energy: -56.976
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.090
local terms energy: -69.798601
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -13.222
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: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -118.816868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.816868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.816868 (E_RNA)
where:
Base-Base interactions energy: -49.088
where: short stacking energy: -49.088
Base-Backbone interact. energy: -0.067
local terms energy: -69.661440
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -14.553
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: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -109.678008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.678008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.678008 (E_RNA)
where:
Base-Base interactions energy: -46.466
where: short stacking energy: -43.214
Base-Backbone interact. energy: -0.076
local terms energy: -63.135465
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -316.576931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.576931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.576931 (E_RNA)
where:
Base-Base interactions energy: -215.156
where: short stacking energy: -97.762
Base-Backbone interact. energy: -0.528
local terms energy: -100.893226
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -29.338
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: 455
Temperature: 0.950000
Total energy: -296.719976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.719976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.719976 (E_RNA)
where:
Base-Base interactions energy: -189.139
where: short stacking energy: -89.604
Base-Backbone interact. energy: -2.330
local terms energy: -105.250598
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -27.899
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: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -288.110978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.110978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.110978 (E_RNA)
where:
Base-Base interactions energy: -192.804
where: short stacking energy: -82.187
Base-Backbone interact. energy: -0.113
local terms energy: -95.193929
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -25.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -299.536370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.536370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.536370 (E_RNA)
where:
Base-Base interactions energy: -198.369
where: short stacking energy: -85.988
Base-Backbone interact. energy: -0.256
local terms energy: -100.911833
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -12.359
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: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -309.588161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.588161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.588161 (E_RNA)
where:
Base-Base interactions energy: -212.489
where: short stacking energy: -96.498
Base-Backbone interact. energy: -0.145
local terms energy: -96.954215
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -159.387665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.387665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.387665 (E_RNA)
where:
Base-Base interactions energy: -79.770
where: short stacking energy: -51.865
Base-Backbone interact. energy: 0.987
local terms energy: -80.604711
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -120.518433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.518433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.518433 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -39.731
Base-Backbone interact. energy: -0.280
local terms energy: -70.157721
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -120.148954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.148954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.148954 (E_RNA)
where:
Base-Base interactions energy: -43.953
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.282
local terms energy: -75.914592
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -120.620238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.620238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.620238 (E_RNA)
where:
Base-Base interactions energy: -52.857
where: short stacking energy: -47.050
Base-Backbone interact. energy: -0.904
local terms energy: -66.859224
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -102.057307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.057307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.057307 (E_RNA)
where:
Base-Base interactions energy: -29.461
where: short stacking energy: -26.948
Base-Backbone interact. energy: -0.413
local terms energy: -72.183836
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -19.441
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -325.589386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.589386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.589386 (E_RNA)
where:
Base-Base interactions energy: -220.246
where: short stacking energy: -100.486
Base-Backbone interact. energy: -0.342
local terms energy: -105.000886
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -24.855
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: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -307.020499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.020499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.020499 (E_RNA)
where:
Base-Base interactions energy: -208.619
where: short stacking energy: -95.224
Base-Backbone interact. energy: 2.003
local terms energy: -100.404239
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -26.114
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -304.459228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.459228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.459228 (E_RNA)
where:
Base-Base interactions energy: -195.139
where: short stacking energy: -92.616
Base-Backbone interact. energy: -0.600
local terms energy: -108.720060
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -30.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -263.385094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.385094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.385094 (E_RNA)
where:
Base-Base interactions energy: -174.835
where: short stacking energy: -76.130
Base-Backbone interact. energy: -0.450
local terms energy: -88.100338
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -19.309
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: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -289.032942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.032942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.032942 (E_RNA)
where:
Base-Base interactions energy: -189.119
where: short stacking energy: -96.003
Base-Backbone interact. energy: -0.648
local terms energy: -99.265749
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -26.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -155.670053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.670053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.670053 (E_RNA)
where:
Base-Base interactions energy: -82.669
where: short stacking energy: -42.512
Base-Backbone interact. energy: -0.399
local terms energy: -72.602798
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -136.123997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.123997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.123997 (E_RNA)
where:
Base-Base interactions energy: -59.503
where: short stacking energy: -35.720
Base-Backbone interact. energy: -0.332
local terms energy: -76.289146
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -114.395377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.395377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.395377 (E_RNA)
where:
Base-Base interactions energy: -55.251
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.048
local terms energy: -59.096364
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -9.354
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: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -113.423597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.423597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.423597 (E_RNA)
where:
Base-Base interactions energy: -43.736
where: short stacking energy: -38.235
Base-Backbone interact. energy: -0.234
local terms energy: -69.453674
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -111.291183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.291183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.291183 (E_RNA)
where:
Base-Base interactions energy: -51.298
where: short stacking energy: -38.053
Base-Backbone interact. energy: -0.231
local terms energy: -59.762058
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -322.634395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.634395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.634395 (E_RNA)
where:
Base-Base interactions energy: -221.278
where: short stacking energy: -97.639
Base-Backbone interact. energy: -0.569
local terms energy: -100.788008
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -24.270
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: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -316.507888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.507888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.507888 (E_RNA)
where:
Base-Base interactions energy: -208.419
where: short stacking energy: -89.209
Base-Backbone interact. energy: -0.143
local terms energy: -107.946512
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -27.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -303.792772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.792772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.792772 (E_RNA)
where:
Base-Base interactions energy: -203.123
where: short stacking energy: -89.452
Base-Backbone interact. energy: -0.643
local terms energy: -100.026858
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -24.650
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: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -303.414160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.414160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.414160 (E_RNA)
where:
Base-Base interactions energy: -213.695
where: short stacking energy: -88.843
Base-Backbone interact. energy: 0.054
local terms energy: -89.773605
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -22.720
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: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -268.750853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.750853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.750853 (E_RNA)
where:
Base-Base interactions energy: -178.530
where: short stacking energy: -81.550
Base-Backbone interact. energy: -0.389
local terms energy: -89.831743
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -166.941623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.941623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.941623 (E_RNA)
where:
Base-Base interactions energy: -90.319
where: short stacking energy: -54.001
Base-Backbone interact. energy: 0.207
local terms energy: -76.828900
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -10.408
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: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -132.482938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.482938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.482938 (E_RNA)
where:
Base-Base interactions energy: -66.706
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.212
local terms energy: -65.564716
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -0.655
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: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -107.067466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.067466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.067466 (E_RNA)
where:
Base-Base interactions energy: -44.874
where: short stacking energy: -43.857
Base-Backbone interact. energy: -0.253
local terms energy: -61.940984
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -11.486
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: 9, replica: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -108.104806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.104806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.104806 (E_RNA)
where:
Base-Base interactions energy: -40.992
where: short stacking energy: -38.047
Base-Backbone interact. energy: -0.224
local terms energy: -66.889517
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -98.237524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.237524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.237524 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -29.272
Base-Backbone interact. energy: -0.220
local terms energy: -68.745677
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -1.105
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: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -332.255372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.255372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.255372 (E_RNA)
where:
Base-Base interactions energy: -231.036
where: short stacking energy: -103.696
Base-Backbone interact. energy: -0.110
local terms energy: -101.110071
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -27.337
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: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -305.634507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.634507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.634507 (E_RNA)
where:
Base-Base interactions energy: -201.912
where: short stacking energy: -90.232
Base-Backbone interact. energy: -0.267
local terms energy: -103.455503
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -23.306
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: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -307.989246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.989246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.989246 (E_RNA)
where:
Base-Base interactions energy: -208.077
where: short stacking energy: -91.161
Base-Backbone interact. energy: -0.778
local terms energy: -99.133895
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -22.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -297.072884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.072884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.072884 (E_RNA)
where:
Base-Base interactions energy: -204.124
where: short stacking energy: -76.526
Base-Backbone interact. energy: -1.175
local terms energy: -91.773013
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -17.195
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: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -269.493427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.493427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.493427 (E_RNA)
where:
Base-Base interactions energy: -179.028
where: short stacking energy: -84.139
Base-Backbone interact. energy: -0.672
local terms energy: -89.793660
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -166.554974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.554974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.554974 (E_RNA)
where:
Base-Base interactions energy: -89.378
where: short stacking energy: -61.789
Base-Backbone interact. energy: 1.781
local terms energy: -78.957660
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -124.782263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.782263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.782263 (E_RNA)
where:
Base-Base interactions energy: -51.962
where: short stacking energy: -49.720
Base-Backbone interact. energy: 0.391
local terms energy: -73.210435
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -132.353056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.353056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.353056 (E_RNA)
where:
Base-Base interactions energy: -55.178
where: short stacking energy: -41.703
Base-Backbone interact. energy: -0.534
local terms energy: -76.641415
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -127.916260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.916260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.916260 (E_RNA)
where:
Base-Base interactions energy: -38.595
where: short stacking energy: -40.633
Base-Backbone interact. energy: -0.959
local terms energy: -88.362261
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -6.485
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: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -95.448745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.448745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.448745 (E_RNA)
where:
Base-Base interactions energy: -38.853
where: short stacking energy: -36.761
Base-Backbone interact. energy: -0.291
local terms energy: -56.303967
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: 5.679
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: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -322.907370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.907370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.907370 (E_RNA)
where:
Base-Base interactions energy: -214.945
where: short stacking energy: -95.820
Base-Backbone interact. energy: -0.724
local terms energy: -107.238738
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -26.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -316.969165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.969165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.969165 (E_RNA)
where:
Base-Base interactions energy: -211.612
where: short stacking energy: -91.866
Base-Backbone interact. energy: -0.134
local terms energy: -105.222914
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -25.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -306.105799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.105799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.105799 (E_RNA)
where:
Base-Base interactions energy: -212.828
where: short stacking energy: -85.628
Base-Backbone interact. energy: -0.943
local terms energy: -92.334553
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -301.111230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.111230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.111230 (E_RNA)
where:
Base-Base interactions energy: -201.923
where: short stacking energy: -90.539
Base-Backbone interact. energy: -1.208
local terms energy: -97.980747
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -23.316
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: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -267.601957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.601957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.601957 (E_RNA)
where:
Base-Base interactions energy: -175.096
where: short stacking energy: -80.178
Base-Backbone interact. energy: -1.037
local terms energy: -91.468777
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -18.597
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: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -190.776440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.776440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.776440 (E_RNA)
where:
Base-Base interactions energy: -97.577
where: short stacking energy: -60.272
Base-Backbone interact. energy: 0.011
local terms energy: -93.210448
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -127.066321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.066321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.066321 (E_RNA)
where:
Base-Base interactions energy: -50.820
where: short stacking energy: -48.088
Base-Backbone interact. energy: -0.085
local terms energy: -76.160816
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -21.165
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -6.576
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: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -115.754095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.754095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.754095 (E_RNA)
where:
Base-Base interactions energy: -50.351
where: short stacking energy: -35.132
Base-Backbone interact. energy: -0.202
local terms energy: -65.201112
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -7.741
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: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -109.766371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.766371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.766371 (E_RNA)
where:
Base-Base interactions energy: -37.276
where: short stacking energy: -37.117
Base-Backbone interact. energy: -0.523
local terms energy: -71.967110
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -3.466
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: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -94.785260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.785260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.785260 (E_RNA)
where:
Base-Base interactions energy: -30.889
where: short stacking energy: -19.684
Base-Backbone interact. energy: -0.386
local terms energy: -63.510667
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -6.673
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: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -324.263834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.263834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.263834 (E_RNA)
where:
Base-Base interactions energy: -218.332
where: short stacking energy: -97.321
Base-Backbone interact. energy: -0.084
local terms energy: -105.847900
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -301.906900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.906900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.906900 (E_RNA)
where:
Base-Base interactions energy: -202.857
where: short stacking energy: -83.289
Base-Backbone interact. energy: -0.966
local terms energy: -98.083621
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -19.247
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: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -305.582224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.582224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.582224 (E_RNA)
where:
Base-Base interactions energy: -206.343
where: short stacking energy: -93.510
Base-Backbone interact. energy: -0.635
local terms energy: -98.604757
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -26.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -286.552378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.552378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.552378 (E_RNA)
where:
Base-Base interactions energy: -188.069
where: short stacking energy: -83.939
Base-Backbone interact. energy: 0.008
local terms energy: -98.491873
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -24.830
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: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -262.441960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.441960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.441960 (E_RNA)
where:
Base-Base interactions energy: -169.294
where: short stacking energy: -77.937
Base-Backbone interact. energy: -0.581
local terms energy: -92.566830
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -17.913
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: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -180.463752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.463752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.463752 (E_RNA)
where:
Base-Base interactions energy: -101.098
where: short stacking energy: -58.923
Base-Backbone interact. energy: -1.407
local terms energy: -77.959382
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -11.890
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: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -129.604243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.604243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.604243 (E_RNA)
where:
Base-Base interactions energy: -60.198
where: short stacking energy: -55.474
Base-Backbone interact. energy: -0.026
local terms energy: -69.380545
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -13.015
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: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -116.337349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.337349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.337349 (E_RNA)
where:
Base-Base interactions energy: -42.484
where: short stacking energy: -29.132
Base-Backbone interact. energy: -1.308
local terms energy: -72.546099
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: 1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -108.884949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.884949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.884949 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -34.600
Base-Backbone interact. energy: -0.299
local terms energy: -73.985977
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -106.371830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.371830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.371830 (E_RNA)
where:
Base-Base interactions energy: -45.011
where: short stacking energy: -35.780
Base-Backbone interact. energy: -0.419
local terms energy: -60.942213
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -314.121760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.121760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.121760 (E_RNA)
where:
Base-Base interactions energy: -207.257
where: short stacking energy: -92.312
Base-Backbone interact. energy: -0.107
local terms energy: -106.758030
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -25.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -306.146978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.146978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.146978 (E_RNA)
where:
Base-Base interactions energy: -202.890
where: short stacking energy: -89.309
Base-Backbone interact. energy: -2.081
local terms energy: -101.176432
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -299.719725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.719725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.719725 (E_RNA)
where:
Base-Base interactions energy: -195.704
where: short stacking energy: -94.815
Base-Backbone interact. energy: -0.200
local terms energy: -103.815511
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -25.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -276.345053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.345053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.345053 (E_RNA)
where:
Base-Base interactions energy: -183.364
where: short stacking energy: -75.201
Base-Backbone interact. energy: 2.759
local terms energy: -95.740348
where:
bonds (distance) C4'-P energy: -21.982
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -21.156
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: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -263.721674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.721674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.721674 (E_RNA)
where:
Base-Base interactions energy: -175.716
where: short stacking energy: -82.873
Base-Backbone interact. energy: -0.346
local terms energy: -87.659138
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -137.205582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.205582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.205582 (E_RNA)
where:
Base-Base interactions energy: -57.836
where: short stacking energy: -45.223
Base-Backbone interact. energy: -0.182
local terms energy: -79.186816
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -152.170225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.170225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.170225 (E_RNA)
where:
Base-Base interactions energy: -76.176
where: short stacking energy: -39.911
Base-Backbone interact. energy: 0.434
local terms energy: -76.428240
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -126.111161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.111161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.111161 (E_RNA)
where:
Base-Base interactions energy: -57.526
where: short stacking energy: -57.526
Base-Backbone interact. energy: 0.592
local terms energy: -69.177701
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -101.310580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.310580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.310580 (E_RNA)
where:
Base-Base interactions energy: -36.323
where: short stacking energy: -34.014
Base-Backbone interact. energy: 0.083
local terms energy: -65.070912
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -105.492235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.492235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.492235 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -32.923
Base-Backbone interact. energy: 0.144
local terms energy: -72.682489
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -320.264493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.264493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.264493 (E_RNA)
where:
Base-Base interactions energy: -213.334
where: short stacking energy: -91.613
Base-Backbone interact. energy: -0.248
local terms energy: -106.682920
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -31.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -305.427216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.427216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.427216 (E_RNA)
where:
Base-Base interactions energy: -203.832
where: short stacking energy: -79.209
Base-Backbone interact. energy: -1.380
local terms energy: -100.215371
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -17.426
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: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -313.745944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.745944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.745944 (E_RNA)
where:
Base-Base interactions energy: -214.788
where: short stacking energy: -96.229
Base-Backbone interact. energy: -0.331
local terms energy: -98.626351
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -21.422
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: 462
Temperature: 1.050000
Total energy: -302.325116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.325116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.325116 (E_RNA)
where:
Base-Base interactions energy: -207.002
where: short stacking energy: -83.825
Base-Backbone interact. energy: -0.778
local terms energy: -94.545216
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -263.572821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.572821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.572821 (E_RNA)
where:
Base-Base interactions energy: -184.348
where: short stacking energy: -80.846
Base-Backbone interact. energy: -0.137
local terms energy: -79.087441
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -134.643610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.643610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.643610 (E_RNA)
where:
Base-Base interactions energy: -59.199
where: short stacking energy: -42.203
Base-Backbone interact. energy: 0.076
local terms energy: -75.520754
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -129.309180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.309180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.309180 (E_RNA)
where:
Base-Base interactions energy: -50.474
where: short stacking energy: -50.474
Base-Backbone interact. energy: -0.059
local terms energy: -78.776324
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -7.996
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: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -138.985145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.985145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.985145 (E_RNA)
where:
Base-Base interactions energy: -73.456
where: short stacking energy: -49.109
Base-Backbone interact. energy: -0.386
local terms energy: -65.142862
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -8.861
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: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -114.862912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.862912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.862912 (E_RNA)
where:
Base-Base interactions energy: -36.205
where: short stacking energy: -32.847
Base-Backbone interact. energy: -0.374
local terms energy: -78.284385
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -111.021439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.021439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.021439 (E_RNA)
where:
Base-Base interactions energy: -46.596
where: short stacking energy: -25.504
Base-Backbone interact. energy: -1.293
local terms energy: -63.131689
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: 1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -329.025685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.025685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.025685 (E_RNA)
where:
Base-Base interactions energy: -221.172
where: short stacking energy: -98.969
Base-Backbone interact. energy: -0.432
local terms energy: -107.420958
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -26.740
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: 463
Temperature: 0.950000
Total energy: -325.814213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.814213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.814213 (E_RNA)
where:
Base-Base interactions energy: -212.934
where: short stacking energy: -94.090
Base-Backbone interact. energy: -0.249
local terms energy: -112.630920
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -29.022
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: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -295.429717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.429717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.429717 (E_RNA)
where:
Base-Base interactions energy: -193.589
where: short stacking energy: -79.432
Base-Backbone interact. energy: -0.727
local terms energy: -101.113191
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -285.574289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.574289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.574289 (E_RNA)
where:
Base-Base interactions energy: -178.478
where: short stacking energy: -85.109
Base-Backbone interact. energy: -0.095
local terms energy: -107.001723
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -27.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -283.521111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.521111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.521111 (E_RNA)
where:
Base-Base interactions energy: -189.673
where: short stacking energy: -74.833
Base-Backbone interact. energy: -1.473
local terms energy: -92.375080
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -9.841
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: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -130.818609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.818609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.818609 (E_RNA)
where:
Base-Base interactions energy: -52.270
where: short stacking energy: -52.270
Base-Backbone interact. energy: -0.094
local terms energy: -78.454457
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -118.997539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.997539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.997539 (E_RNA)
where:
Base-Base interactions energy: -46.371
where: short stacking energy: -42.025
Base-Backbone interact. energy: 0.491
local terms energy: -73.117838
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -113.085811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.085811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.085811 (E_RNA)
where:
Base-Base interactions energy: -50.990
where: short stacking energy: -37.997
Base-Backbone interact. energy: 1.739
local terms energy: -63.834557
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -0.956
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: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -151.498470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.498470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.498470 (E_RNA)
where:
Base-Base interactions energy: -74.523
where: short stacking energy: -60.022
Base-Backbone interact. energy: -0.175
local terms energy: -76.800596
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -21.581
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -9.597
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: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -112.876167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.876167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.876167 (E_RNA)
where:
Base-Base interactions energy: -49.677
where: short stacking energy: -35.501
Base-Backbone interact. energy: -0.298
local terms energy: -62.901655
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -335.608918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.608918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.608918 (E_RNA)
where:
Base-Base interactions energy: -227.870
where: short stacking energy: -100.030
Base-Backbone interact. energy: -1.015
local terms energy: -106.724667
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -27.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -316.428158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.428158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.428158 (E_RNA)
where:
Base-Base interactions energy: -208.951
where: short stacking energy: -98.677
Base-Backbone interact. energy: -0.338
local terms energy: -107.139696
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -29.150
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: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -268.721199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.721199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.721199 (E_RNA)
where:
Base-Base interactions energy: -173.031
where: short stacking energy: -79.112
Base-Backbone interact. energy: -0.083
local terms energy: -95.606733
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -272.910799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.910799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.910799 (E_RNA)
where:
Base-Base interactions energy: -186.186
where: short stacking energy: -91.333
Base-Backbone interact. energy: 0.015
local terms energy: -86.739399
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -280.520850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.520850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.520850 (E_RNA)
where:
Base-Base interactions energy: -189.033
where: short stacking energy: -83.127
Base-Backbone interact. energy: -0.904
local terms energy: -90.584489
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -132.561176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.561176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.561176 (E_RNA)
where:
Base-Base interactions energy: -62.980
where: short stacking energy: -48.811
Base-Backbone interact. energy: -0.371
local terms energy: -69.209775
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -178.738929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.738929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.738929 (E_RNA)
where:
Base-Base interactions energy: -104.359
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.507
local terms energy: -73.872904
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -119.330595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.330595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.330595 (E_RNA)
where:
Base-Base interactions energy: -54.901
where: short stacking energy: -37.291
Base-Backbone interact. energy: -0.078
local terms energy: -64.352144
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -4.500
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: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -119.823571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.823571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.823571 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -42.612
Base-Backbone interact. energy: -0.219
local terms energy: -74.645866
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -128.455034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.455034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.455034 (E_RNA)
where:
Base-Base interactions energy: -64.227
where: short stacking energy: -39.003
Base-Backbone interact. energy: 0.498
local terms energy: -64.725622
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -7.532
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: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -324.383306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.383306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.383306 (E_RNA)
where:
Base-Base interactions energy: -211.232
where: short stacking energy: -92.872
Base-Backbone interact. energy: -1.069
local terms energy: -112.082691
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -27.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -325.917781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.917781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.917781 (E_RNA)
where:
Base-Base interactions energy: -216.688
where: short stacking energy: -100.686
Base-Backbone interact. energy: -0.553
local terms energy: -108.677598
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -30.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -274.819269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.819269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.819269 (E_RNA)
where:
Base-Base interactions energy: -179.385
where: short stacking energy: -87.833
Base-Backbone interact. energy: -0.657
local terms energy: -94.776896
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -24.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -285.006035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.006035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.006035 (E_RNA)
where:
Base-Base interactions energy: -184.461
where: short stacking energy: -89.974
Base-Backbone interact. energy: -0.794
local terms energy: -99.750872
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -23.797
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -274.443551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.443551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.443551 (E_RNA)
where:
Base-Base interactions energy: -189.137
where: short stacking energy: -82.281
Base-Backbone interact. energy: -0.546
local terms energy: -84.760154
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -165.202890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.202890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.202890 (E_RNA)
where:
Base-Base interactions energy: -87.575
where: short stacking energy: -49.932
Base-Backbone interact. energy: -0.324
local terms energy: -77.303746
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -142.847404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.847404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.847404 (E_RNA)
where:
Base-Base interactions energy: -64.263
where: short stacking energy: -53.875
Base-Backbone interact. energy: 0.289
local terms energy: -78.873314
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -136.628245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.628245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.628245 (E_RNA)
where:
Base-Base interactions energy: -68.088
where: short stacking energy: -51.340
Base-Backbone interact. energy: -0.063
local terms energy: -68.477304
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -106.459510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.459510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.459510 (E_RNA)
where:
Base-Base interactions energy: -53.251
where: short stacking energy: -36.385
Base-Backbone interact. energy: -0.174
local terms energy: -53.035033
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: 4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -112.864821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.864821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.864821 (E_RNA)
where:
Base-Base interactions energy: -52.888
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.487
local terms energy: -59.490276
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -323.908963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.908963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.908963 (E_RNA)
where:
Base-Base interactions energy: -222.755
where: short stacking energy: -91.120
Base-Backbone interact. energy: -0.258
local terms energy: -100.896218
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -27.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -312.929694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.929694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.929694 (E_RNA)
where:
Base-Base interactions energy: -208.617
where: short stacking energy: -100.131
Base-Backbone interact. energy: -0.265
local terms energy: -104.048190
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -28.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -306.721690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.721690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.721690 (E_RNA)
where:
Base-Base interactions energy: -207.124
where: short stacking energy: -97.698
Base-Backbone interact. energy: -0.107
local terms energy: -99.491259
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -24.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -280.676573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.676573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.676573 (E_RNA)
where:
Base-Base interactions energy: -181.554
where: short stacking energy: -86.718
Base-Backbone interact. energy: -0.003
local terms energy: -99.119686
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -14.222
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: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -293.495046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.495046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.495046 (E_RNA)
where:
Base-Base interactions energy: -191.800
where: short stacking energy: -81.279
Base-Backbone interact. energy: -1.309
local terms energy: -100.386459
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -156.935610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.935610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.935610 (E_RNA)
where:
Base-Base interactions energy: -85.780
where: short stacking energy: -53.059
Base-Backbone interact. energy: -0.259
local terms energy: -70.896192
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -6.080
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: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -138.045281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.045281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.045281 (E_RNA)
where:
Base-Base interactions energy: -61.509
where: short stacking energy: -53.900
Base-Backbone interact. energy: -1.103
local terms energy: -75.433149
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -110.808082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.808082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.808082 (E_RNA)
where:
Base-Base interactions energy: -57.148
where: short stacking energy: -35.997
Base-Backbone interact. energy: -0.334
local terms energy: -53.326520
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -122.902053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.902053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.902053 (E_RNA)
where:
Base-Base interactions energy: -42.514
where: short stacking energy: -36.383
Base-Backbone interact. energy: -0.446
local terms energy: -79.941912
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -90.685571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.685571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.685571 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -31.244
Base-Backbone interact. energy: -0.266
local terms energy: -58.457117
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: 1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -325.840647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.840647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.840647 (E_RNA)
where:
Base-Base interactions energy: -226.607
where: short stacking energy: -99.286
Base-Backbone interact. energy: 0.007
local terms energy: -99.241240
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -312.854283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.854283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.854283 (E_RNA)
where:
Base-Base interactions energy: -211.774
where: short stacking energy: -91.458
Base-Backbone interact. energy: -0.464
local terms energy: -100.616356
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -22.918
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: 467
Temperature: 1.000000
Total energy: -312.674934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.674934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.674934 (E_RNA)
where:
Base-Base interactions energy: -210.773
where: short stacking energy: -91.111
Base-Backbone interact. energy: -0.336
local terms energy: -101.565104
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -270.837969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.837969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.837969 (E_RNA)
where:
Base-Base interactions energy: -168.766
where: short stacking energy: -83.425
Base-Backbone interact. energy: -0.127
local terms energy: -101.944763
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -15.355
tors. eta vs tors. theta energy: -24.810
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: 467
Temperature: 1.100000
Total energy: -289.014859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.014859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.014859 (E_RNA)
where:
Base-Base interactions energy: -193.779
where: short stacking energy: -81.384
Base-Backbone interact. energy: 0.562
local terms energy: -95.798264
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -187.345072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.345072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.345072 (E_RNA)
where:
Base-Base interactions energy: -100.830
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.223
local terms energy: -86.292845
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -138.563145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.563145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.563145 (E_RNA)
where:
Base-Base interactions energy: -70.147
where: short stacking energy: -42.733
Base-Backbone interact. energy: 1.119
local terms energy: -69.535538
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -6.229
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: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -127.040252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.040252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.040252 (E_RNA)
where:
Base-Base interactions energy: -70.074
where: short stacking energy: -40.153
Base-Backbone interact. energy: -0.105
local terms energy: -56.861850
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -115.267640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.267640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.267640 (E_RNA)
where:
Base-Base interactions energy: -37.331
where: short stacking energy: -35.473
Base-Backbone interact. energy: -0.102
local terms energy: -77.833834
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -103.718633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.718633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.718633 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -37.118
Base-Backbone interact. energy: -0.163
local terms energy: -66.429798
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -314.391422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.391422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.391422 (E_RNA)
where:
Base-Base interactions energy: -220.461
where: short stacking energy: -94.445
Base-Backbone interact. energy: 2.194
local terms energy: -96.124057
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -301.123633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.123633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.123633 (E_RNA)
where:
Base-Base interactions energy: -212.820
where: short stacking energy: -82.636
Base-Backbone interact. energy: -0.250
local terms energy: -88.053383
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -293.931575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.931575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.931575 (E_RNA)
where:
Base-Base interactions energy: -188.815
where: short stacking energy: -78.567
Base-Backbone interact. energy: 0.063
local terms energy: -105.180167
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -294.003263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.003263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.003263 (E_RNA)
where:
Base-Base interactions energy: -196.072
where: short stacking energy: -87.582
Base-Backbone interact. energy: -0.573
local terms energy: -97.358025
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -22.271
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: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -282.194558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.194558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.194558 (E_RNA)
where:
Base-Base interactions energy: -180.034
where: short stacking energy: -82.555
Base-Backbone interact. energy: 0.200
local terms energy: -102.360857
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -181.102053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.102053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.102053 (E_RNA)
where:
Base-Base interactions energy: -115.272
where: short stacking energy: -57.476
Base-Backbone interact. energy: 0.028
local terms energy: -65.857987
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -117.346311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.346311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.346311 (E_RNA)
where:
Base-Base interactions energy: -61.395
where: short stacking energy: -39.935
Base-Backbone interact. energy: 0.628
local terms energy: -56.578907
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -3.255
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: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -118.074511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.074511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.074511 (E_RNA)
where:
Base-Base interactions energy: -56.946
where: short stacking energy: -35.617
Base-Backbone interact. energy: -0.224
local terms energy: -60.904953
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: 2.783
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: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -117.306545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.306545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.306545 (E_RNA)
where:
Base-Base interactions energy: -51.225
where: short stacking energy: -35.005
Base-Backbone interact. energy: 0.659
local terms energy: -66.740541
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -22.990
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -1.700
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: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -101.669776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.669776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.669776 (E_RNA)
where:
Base-Base interactions energy: -40.717
where: short stacking energy: -38.895
Base-Backbone interact. energy: 0.501
local terms energy: -61.453866
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -309.070134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.070134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.070134 (E_RNA)
where:
Base-Base interactions energy: -201.249
where: short stacking energy: -94.661
Base-Backbone interact. energy: -0.101
local terms energy: -107.720585
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -25.596
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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -315.857347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.857347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.857347 (E_RNA)
where:
Base-Base interactions energy: -204.346
where: short stacking energy: -91.117
Base-Backbone interact. energy: -0.957
local terms energy: -110.554832
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -26.447
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: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -282.867187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.867187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.867187 (E_RNA)
where:
Base-Base interactions energy: -181.640
where: short stacking energy: -79.099
Base-Backbone interact. energy: -0.027
local terms energy: -101.199832
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -25.663
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: 469
Temperature: 1.050000
Total energy: -283.456194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.456194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.456194 (E_RNA)
where:
Base-Base interactions energy: -187.956
where: short stacking energy: -84.098
Base-Backbone interact. energy: 0.501
local terms energy: -96.001301
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -23.742
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: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -282.488767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.488767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.488767 (E_RNA)
where:
Base-Base interactions energy: -177.743
where: short stacking energy: -86.176
Base-Backbone interact. energy: -0.336
local terms energy: -104.410324
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -28.984
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: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -198.856351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.856351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.856351 (E_RNA)
where:
Base-Base interactions energy: -115.837
where: short stacking energy: -67.409
Base-Backbone interact. energy: -0.362
local terms energy: -82.657046
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -12.200
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: 469
Temperature: 1.200000
Total energy: -118.683842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.683842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.683842 (E_RNA)
where:
Base-Base interactions energy: -51.276
where: short stacking energy: -49.490
Base-Backbone interact. energy: -0.260
local terms energy: -67.148274
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -124.690565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.690565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.690565 (E_RNA)
where:
Base-Base interactions energy: -58.429
where: short stacking energy: -44.533
Base-Backbone interact. energy: -0.730
local terms energy: -65.531290
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -2.929
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -104.834636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.834636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.834636 (E_RNA)
where:
Base-Base interactions energy: -42.244
where: short stacking energy: -25.308
Base-Backbone interact. energy: -0.464
local terms energy: -62.126859
where:
bonds (distance) C4'-P energy: -21.989
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: 5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -102.577843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.577843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.577843 (E_RNA)
where:
Base-Base interactions energy: -41.830
where: short stacking energy: -28.754
Base-Backbone interact. energy: -0.307
local terms energy: -60.441027
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -319.644540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.644540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.644540 (E_RNA)
where:
Base-Base interactions energy: -212.083
where: short stacking energy: -97.565
Base-Backbone interact. energy: 0.116
local terms energy: -107.676847
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -322.233163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.233163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.233163 (E_RNA)
where:
Base-Base interactions energy: -218.998
where: short stacking energy: -97.488
Base-Backbone interact. energy: -0.185
local terms energy: -103.050454
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -22.493
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -295.792663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.792663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.792663 (E_RNA)
where:
Base-Base interactions energy: -198.759
where: short stacking energy: -87.841
Base-Backbone interact. energy: -0.764
local terms energy: -96.269576
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -15.844
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: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -283.511703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.511703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.511703 (E_RNA)
where:
Base-Base interactions energy: -188.624
where: short stacking energy: -82.181
Base-Backbone interact. energy: -0.092
local terms energy: -94.795494
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -280.325680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.325680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.325680 (E_RNA)
where:
Base-Base interactions energy: -189.251
where: short stacking energy: -85.826
Base-Backbone interact. energy: -0.209
local terms energy: -90.865653
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -182.794343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.794343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.794343 (E_RNA)
where:
Base-Base interactions energy: -100.751
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.113
local terms energy: -81.929913
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -165.083600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.083600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.083600 (E_RNA)
where:
Base-Base interactions energy: -85.480
where: short stacking energy: -54.550
Base-Backbone interact. energy: -1.558
local terms energy: -78.045572
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -121.693474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.693474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.693474 (E_RNA)
where:
Base-Base interactions energy: -47.102
where: short stacking energy: -45.706
Base-Backbone interact. energy: 1.489
local terms energy: -76.080498
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -12.741
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: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -115.417120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.417120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.417120 (E_RNA)
where:
Base-Base interactions energy: -44.981
where: short stacking energy: -39.280
Base-Backbone interact. energy: -0.170
local terms energy: -70.266808
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -12.912
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: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -100.679606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.679606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.679606 (E_RNA)
where:
Base-Base interactions energy: -35.566
where: short stacking energy: -32.002
Base-Backbone interact. energy: -0.196
local terms energy: -64.917403
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -323.419924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.419924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.419924 (E_RNA)
where:
Base-Base interactions energy: -217.719
where: short stacking energy: -99.174
Base-Backbone interact. energy: -0.266
local terms energy: -105.435377
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -26.049
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: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -322.473720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.473720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.473720 (E_RNA)
where:
Base-Base interactions energy: -210.891
where: short stacking energy: -101.664
Base-Backbone interact. energy: -0.197
local terms energy: -111.385255
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -30.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -283.167068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.167068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.167068 (E_RNA)
where:
Base-Base interactions energy: -180.221
where: short stacking energy: -69.681
Base-Backbone interact. energy: -0.323
local terms energy: -102.623921
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -281.016389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.016389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.016389 (E_RNA)
where:
Base-Base interactions energy: -195.061
where: short stacking energy: -80.347
Base-Backbone interact. energy: -0.887
local terms energy: -85.068741
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -22.681
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: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -249.406522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.406522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.406522 (E_RNA)
where:
Base-Base interactions energy: -165.419
where: short stacking energy: -66.880
Base-Backbone interact. energy: 5.139
local terms energy: -89.126175
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -174.323449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.323449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.323449 (E_RNA)
where:
Base-Base interactions energy: -95.091
where: short stacking energy: -62.232
Base-Backbone interact. energy: 0.917
local terms energy: -80.149392
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -13.975
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: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -172.404533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.404533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.404533 (E_RNA)
where:
Base-Base interactions energy: -87.345
where: short stacking energy: -50.394
Base-Backbone interact. energy: -0.030
local terms energy: -85.029593
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -101.526125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.526125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.526125 (E_RNA)
where:
Base-Base interactions energy: -40.954
where: short stacking energy: -30.741
Base-Backbone interact. energy: -1.525
local terms energy: -59.046913
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -109.203620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.203620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.203620 (E_RNA)
where:
Base-Base interactions energy: -35.646
where: short stacking energy: -33.560
Base-Backbone interact. energy: -0.332
local terms energy: -73.225367
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -10.751
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: 10, replica: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -111.502023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.502023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.502023 (E_RNA)
where:
Base-Base interactions energy: -36.256
where: short stacking energy: -36.256
Base-Backbone interact. energy: 0.130
local terms energy: -75.376237
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -334.003337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.003337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.003337 (E_RNA)
where:
Base-Base interactions energy: -222.124
where: short stacking energy: -97.788
Base-Backbone interact. energy: -0.508
local terms energy: -111.371354
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -27.668
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: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -324.029033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.029033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.029033 (E_RNA)
where:
Base-Base interactions energy: -218.145
where: short stacking energy: -88.866
Base-Backbone interact. energy: -0.194
local terms energy: -105.690073
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -13.733
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: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -299.637332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.637332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.637332 (E_RNA)
where:
Base-Base interactions energy: -202.623
where: short stacking energy: -89.969
Base-Backbone interact. energy: -0.225
local terms energy: -96.789094
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -278.206055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.206055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.206055 (E_RNA)
where:
Base-Base interactions energy: -187.374
where: short stacking energy: -74.493
Base-Backbone interact. energy: -0.804
local terms energy: -90.028158
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -23.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -241.633376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.633376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.633376 (E_RNA)
where:
Base-Base interactions energy: -145.504
where: short stacking energy: -74.797
Base-Backbone interact. energy: -0.187
local terms energy: -95.942302
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -167.342506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.342506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.342506 (E_RNA)
where:
Base-Base interactions energy: -88.408
where: short stacking energy: -53.534
Base-Backbone interact. energy: -0.693
local terms energy: -78.241882
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -179.734105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.734105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.734105 (E_RNA)
where:
Base-Base interactions energy: -99.372
where: short stacking energy: -63.450
Base-Backbone interact. energy: 0.245
local terms energy: -80.607101
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -16.026
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: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -128.094158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.094158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.094158 (E_RNA)
where:
Base-Base interactions energy: -65.521
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.748
local terms energy: -61.824823
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: 0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -109.323632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.323632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.323632 (E_RNA)
where:
Base-Base interactions energy: -34.795
where: short stacking energy: -35.595
Base-Backbone interact. energy: -0.053
local terms energy: -74.475158
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -5.385
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: 472
Temperature: 1.350000
Total energy: -104.162814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.162814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.162814 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -33.104
Base-Backbone interact. energy: -0.420
local terms energy: -66.909151
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -336.085308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.085308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.085308 (E_RNA)
where:
Base-Base interactions energy: -228.853
where: short stacking energy: -95.324
Base-Backbone interact. energy: -0.247
local terms energy: -106.985178
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -27.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -315.489970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.489970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.489970 (E_RNA)
where:
Base-Base interactions energy: -208.458
where: short stacking energy: -101.074
Base-Backbone interact. energy: -0.187
local terms energy: -106.845135
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -27.853
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: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -314.559071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.559071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.559071 (E_RNA)
where:
Base-Base interactions energy: -212.672
where: short stacking energy: -94.569
Base-Backbone interact. energy: -0.297
local terms energy: -101.590161
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -24.336
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: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -280.908919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.908919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.908919 (E_RNA)
where:
Base-Base interactions energy: -194.458
where: short stacking energy: -89.927
Base-Backbone interact. energy: -0.641
local terms energy: -85.809714
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -22.671
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: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -252.074078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.074078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.074078 (E_RNA)
where:
Base-Base interactions energy: -167.489
where: short stacking energy: -81.692
Base-Backbone interact. energy: 0.611
local terms energy: -85.196190
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -22.558
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: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -183.417467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.417467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.417467 (E_RNA)
where:
Base-Base interactions energy: -104.152
where: short stacking energy: -61.602
Base-Backbone interact. energy: -0.164
local terms energy: -79.102075
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -132.489220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.489220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.489220 (E_RNA)
where:
Base-Base interactions energy: -59.012
where: short stacking energy: -33.432
Base-Backbone interact. energy: -0.388
local terms energy: -73.089359
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -111.996763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.996763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.996763 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -38.436
Base-Backbone interact. energy: -0.101
local terms energy: -73.459417
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -110.087946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.087946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.087946 (E_RNA)
where:
Base-Base interactions energy: -40.069
where: short stacking energy: -35.846
Base-Backbone interact. energy: 0.172
local terms energy: -70.190142
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -5.679
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: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -100.496208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.496208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.496208 (E_RNA)
where:
Base-Base interactions energy: -45.279
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.284
local terms energy: -54.933301
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: 1.486
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: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -326.731588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.731588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.731588 (E_RNA)
where:
Base-Base interactions energy: -221.963
where: short stacking energy: -100.124
Base-Backbone interact. energy: -0.772
local terms energy: -103.996121
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -27.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -327.895516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.895516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.895516 (E_RNA)
where:
Base-Base interactions energy: -221.363
where: short stacking energy: -96.511
Base-Backbone interact. energy: -0.228
local terms energy: -106.304647
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -25.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -304.572842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.572842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.572842 (E_RNA)
where:
Base-Base interactions energy: -201.720
where: short stacking energy: -99.200
Base-Backbone interact. energy: -0.417
local terms energy: -102.435847
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -28.443
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: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -293.734262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.734262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.734262 (E_RNA)
where:
Base-Base interactions energy: -202.861
where: short stacking energy: -91.693
Base-Backbone interact. energy: -0.893
local terms energy: -89.979642
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -24.277
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: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -267.817033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.817033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.817033 (E_RNA)
where:
Base-Base interactions energy: -175.317
where: short stacking energy: -81.248
Base-Backbone interact. energy: -0.145
local terms energy: -92.354698
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -23.731
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: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -180.121468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.121468 (E_RNA)
where:
Base-Base interactions energy: -93.187
where: short stacking energy: -48.798
Base-Backbone interact. energy: -1.287
local terms energy: -85.646685
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -9.340
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: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -132.679618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.679618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.679618 (E_RNA)
where:
Base-Base interactions energy: -61.042
where: short stacking energy: -55.878
Base-Backbone interact. energy: 0.127
local terms energy: -71.764415
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -139.959519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.959519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.959519 (E_RNA)
where:
Base-Base interactions energy: -67.472
where: short stacking energy: -38.240
Base-Backbone interact. energy: -0.846
local terms energy: -71.642080
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -5.553
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: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -117.186925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.186925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.186925 (E_RNA)
where:
Base-Base interactions energy: -39.542
where: short stacking energy: -30.175
Base-Backbone interact. energy: -0.551
local terms energy: -77.094325
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -3.096
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: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -103.809239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.809239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.809239 (E_RNA)
where:
Base-Base interactions energy: -43.699
where: short stacking energy: -41.804
Base-Backbone interact. energy: -0.856
local terms energy: -59.253576
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -3.295
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: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -320.378830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.378830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.378830 (E_RNA)
where:
Base-Base interactions energy: -215.815
where: short stacking energy: -86.963
Base-Backbone interact. energy: 0.340
local terms energy: -104.903734
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -326.556833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.556833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.556833 (E_RNA)
where:
Base-Base interactions energy: -224.094
where: short stacking energy: -95.381
Base-Backbone interact. energy: -0.143
local terms energy: -102.319392
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -24.013
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: 475
Temperature: 1.000000
Total energy: -296.145048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.145048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.145048 (E_RNA)
where:
Base-Base interactions energy: -195.667
where: short stacking energy: -86.602
Base-Backbone interact. energy: -0.837
local terms energy: -99.640788
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -14.650
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: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -299.735472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.735472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.735472 (E_RNA)
where:
Base-Base interactions energy: -199.623
where: short stacking energy: -92.453
Base-Backbone interact. energy: -0.932
local terms energy: -99.180890
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -15.069
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: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -243.286699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.286699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.286699 (E_RNA)
where:
Base-Base interactions energy: -152.008
where: short stacking energy: -79.422
Base-Backbone interact. energy: -0.750
local terms energy: -90.528688
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -23.710
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: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -135.017450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.017450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.017450 (E_RNA)
where:
Base-Base interactions energy: -60.590
where: short stacking energy: -57.097
Base-Backbone interact. energy: -0.148
local terms energy: -74.279619
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -158.144944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.144944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.144944 (E_RNA)
where:
Base-Base interactions energy: -84.937
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.044
local terms energy: -73.164049
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -113.292503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.292503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.292503 (E_RNA)
where:
Base-Base interactions energy: -49.858
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.166
local terms energy: -63.268257
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -113.259951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.259951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.259951 (E_RNA)
where:
Base-Base interactions energy: -51.276
where: short stacking energy: -36.601
Base-Backbone interact. energy: 0.221
local terms energy: -62.204272
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -105.214049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.214049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.214049 (E_RNA)
where:
Base-Base interactions energy: -44.073
where: short stacking energy: -41.719
Base-Backbone interact. energy: 0.503
local terms energy: -61.643878
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -6.581
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: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -319.661163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.661163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.661163 (E_RNA)
where:
Base-Base interactions energy: -212.803
where: short stacking energy: -84.160
Base-Backbone interact. energy: -0.829
local terms energy: -106.028392
where:
bonds (distance) C4'-P energy: -23.779
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -24.497
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: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -317.842665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.842665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.842665 (E_RNA)
where:
Base-Base interactions energy: -214.617
where: short stacking energy: -94.780
Base-Backbone interact. energy: -0.495
local terms energy: -102.729828
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -14.564
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: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -307.079069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.079069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.079069 (E_RNA)
where:
Base-Base interactions energy: -206.493
where: short stacking energy: -90.191
Base-Backbone interact. energy: -0.263
local terms energy: -100.322954
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -16.833
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: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -299.443868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.443868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.443868 (E_RNA)
where:
Base-Base interactions energy: -197.524
where: short stacking energy: -91.817
Base-Backbone interact. energy: 0.734
local terms energy: -102.654187
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -25.503
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: 476
Temperature: 1.100000
Total energy: -235.101684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.101684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.101684 (E_RNA)
where:
Base-Base interactions energy: -143.383
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.050
local terms energy: -91.668510
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -136.684429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.684429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.684429 (E_RNA)
where:
Base-Base interactions energy: -56.658
where: short stacking energy: -46.059
Base-Backbone interact. energy: -0.082
local terms energy: -79.944416
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -11.142
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: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -147.560442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.560442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.560442 (E_RNA)
where:
Base-Base interactions energy: -66.853
where: short stacking energy: -41.349
Base-Backbone interact. energy: -0.989
local terms energy: -79.718086
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -134.876320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.876320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.876320 (E_RNA)
where:
Base-Base interactions energy: -55.568
where: short stacking energy: -32.948
Base-Backbone interact. energy: -0.112
local terms energy: -79.196080
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -108.301830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.301830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.301830 (E_RNA)
where:
Base-Base interactions energy: -38.939
where: short stacking energy: -34.610
Base-Backbone interact. energy: -0.392
local terms energy: -68.970821
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -98.818102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.818102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.818102 (E_RNA)
where:
Base-Base interactions energy: -35.800
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.046
local terms energy: -62.972008
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: 3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -315.543789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.543789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.543789 (E_RNA)
where:
Base-Base interactions energy: -208.826
where: short stacking energy: -94.902
Base-Backbone interact. energy: -0.626
local terms energy: -106.091824
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -323.000697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.000697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.000697 (E_RNA)
where:
Base-Base interactions energy: -216.887
where: short stacking energy: -100.146
Base-Backbone interact. energy: -0.507
local terms energy: -105.606658
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -26.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -303.351540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.351540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.351540 (E_RNA)
where:
Base-Base interactions energy: -210.622
where: short stacking energy: -84.420
Base-Backbone interact. energy: -0.158
local terms energy: -92.571110
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -21.158
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: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -304.633997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.633997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.633997 (E_RNA)
where:
Base-Base interactions energy: -203.456
where: short stacking energy: -84.250
Base-Backbone interact. energy: -0.285
local terms energy: -100.892773
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -241.780728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.780728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.780728 (E_RNA)
where:
Base-Base interactions energy: -142.723
where: short stacking energy: -75.241
Base-Backbone interact. energy: -0.204
local terms energy: -98.854564
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -155.088861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.088861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.088861 (E_RNA)
where:
Base-Base interactions energy: -86.558
where: short stacking energy: -39.863
Base-Backbone interact. energy: -2.053
local terms energy: -66.477877
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -3.130
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: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -116.039670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.039670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.039670 (E_RNA)
where:
Base-Base interactions energy: -46.816
where: short stacking energy: -34.955
Base-Backbone interact. energy: 0.036
local terms energy: -69.260274
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -119.785572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.785572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.785572 (E_RNA)
where:
Base-Base interactions energy: -48.554
where: short stacking energy: -36.953
Base-Backbone interact. energy: -0.064
local terms energy: -71.166986
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -110.208812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.208812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.208812 (E_RNA)
where:
Base-Base interactions energy: -53.739
where: short stacking energy: -27.566
Base-Backbone interact. energy: -0.377
local terms energy: -56.092173
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -100.138915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.138915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.138915 (E_RNA)
where:
Base-Base interactions energy: -41.741
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.224
local terms energy: -58.173854
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: 7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -325.574565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.574565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.574565 (E_RNA)
where:
Base-Base interactions energy: -206.260
where: short stacking energy: -103.477
Base-Backbone interact. energy: -1.389
local terms energy: -117.925812
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -30.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -326.500774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.500774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.500774 (E_RNA)
where:
Base-Base interactions energy: -230.041
where: short stacking energy: -104.726
Base-Backbone interact. energy: -0.507
local terms energy: -95.952638
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -26.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -300.044644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.044644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.044644 (E_RNA)
where:
Base-Base interactions energy: -194.000
where: short stacking energy: -85.623
Base-Backbone interact. energy: -0.710
local terms energy: -105.334644
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -24.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -303.009665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.009665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.009665 (E_RNA)
where:
Base-Base interactions energy: -201.726
where: short stacking energy: -89.769
Base-Backbone interact. energy: -0.198
local terms energy: -101.085414
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -235.763249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.763249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.763249 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -87.479
Base-Backbone interact. energy: -0.133
local terms energy: -83.744748
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -169.784062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.784062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.784062 (E_RNA)
where:
Base-Base interactions energy: -86.850
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.122
local terms energy: -82.811778
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -150.684236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.684236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.684236 (E_RNA)
where:
Base-Base interactions energy: -67.603
where: short stacking energy: -46.895
Base-Backbone interact. energy: -0.104
local terms energy: -82.977615
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -113.798905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.798905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.798905 (E_RNA)
where:
Base-Base interactions energy: -51.573
where: short stacking energy: -42.601
Base-Backbone interact. energy: -0.108
local terms energy: -62.118037
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -2.374
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: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -114.009875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.009875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.009875 (E_RNA)
where:
Base-Base interactions energy: -48.852
where: short stacking energy: -34.605
Base-Backbone interact. energy: -0.021
local terms energy: -65.136780
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.803
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: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -115.955779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.955779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.955779 (E_RNA)
where:
Base-Base interactions energy: -39.518
where: short stacking energy: -41.118
Base-Backbone interact. energy: 1.079
local terms energy: -77.516353
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -329.015231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.015231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.015231 (E_RNA)
where:
Base-Base interactions energy: -226.914
where: short stacking energy: -102.679
Base-Backbone interact. energy: 1.012
local terms energy: -103.113562
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -27.148
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: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -314.772901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.772901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.772901 (E_RNA)
where:
Base-Base interactions energy: -207.763
where: short stacking energy: -99.194
Base-Backbone interact. energy: -0.188
local terms energy: -106.821453
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -30.461
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: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -292.290417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.290417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.290417 (E_RNA)
where:
Base-Base interactions energy: -192.890
where: short stacking energy: -87.957
Base-Backbone interact. energy: 0.524
local terms energy: -99.924729
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -284.169318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.169318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.169318 (E_RNA)
where:
Base-Base interactions energy: -195.135
where: short stacking energy: -83.101
Base-Backbone interact. energy: 0.648
local terms energy: -89.681921
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -230.710596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.710596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.710596 (E_RNA)
where:
Base-Base interactions energy: -139.028
where: short stacking energy: -79.266
Base-Backbone interact. energy: -0.290
local terms energy: -91.392441
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -141.836723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.836723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.836723 (E_RNA)
where:
Base-Base interactions energy: -56.268
where: short stacking energy: -56.768
Base-Backbone interact. energy: -0.171
local terms energy: -85.397737
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -11.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -159.546220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.546220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.546220 (E_RNA)
where:
Base-Base interactions energy: -91.586
where: short stacking energy: -50.934
Base-Backbone interact. energy: -0.300
local terms energy: -67.659624
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -10.138
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: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -129.056047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.056047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.056047 (E_RNA)
where:
Base-Base interactions energy: -59.312
where: short stacking energy: -39.996
Base-Backbone interact. energy: 2.796
local terms energy: -72.540198
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -8.678
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: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -123.415797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.415797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.415797 (E_RNA)
where:
Base-Base interactions energy: -48.829
where: short stacking energy: -46.010
Base-Backbone interact. energy: -0.051
local terms energy: -74.534985
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -98.964785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.964785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.964785 (E_RNA)
where:
Base-Base interactions energy: -39.426
where: short stacking energy: -30.131
Base-Backbone interact. energy: -0.623
local terms energy: -58.915958
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: 6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -329.750110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.750110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.750110 (E_RNA)
where:
Base-Base interactions energy: -216.885
where: short stacking energy: -102.966
Base-Backbone interact. energy: -1.244
local terms energy: -111.621670
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -22.978
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -27.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -318.529676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.529676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.529676 (E_RNA)
where:
Base-Base interactions energy: -211.400
where: short stacking energy: -93.424
Base-Backbone interact. energy: 0.050
local terms energy: -107.179656
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -279.585724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.585724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.585724 (E_RNA)
where:
Base-Base interactions energy: -181.995
where: short stacking energy: -86.360
Base-Backbone interact. energy: -0.225
local terms energy: -97.366248
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -25.684
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: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -268.993155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.993155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.993155 (E_RNA)
where:
Base-Base interactions energy: -179.839
where: short stacking energy: -88.184
Base-Backbone interact. energy: -0.211
local terms energy: -88.943304
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -12.020
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: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -232.392142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.392142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.392142 (E_RNA)
where:
Base-Base interactions energy: -142.025
where: short stacking energy: -74.362
Base-Backbone interact. energy: -0.132
local terms energy: -90.234946
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -12.082
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: 480
Temperature: 1.150000
Total energy: -129.733528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.733528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.733528 (E_RNA)
where:
Base-Base interactions energy: -59.453
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.018
local terms energy: -70.262919
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -154.919710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.919710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.919710 (E_RNA)
where:
Base-Base interactions energy: -86.301
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.634
local terms energy: -67.985489
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -9.061
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: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -137.431076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.431076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.431076 (E_RNA)
where:
Base-Base interactions energy: -72.711
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.206
local terms energy: -64.513543
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -105.701437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.701437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.701437 (E_RNA)
where:
Base-Base interactions energy: -51.357
where: short stacking energy: -44.973
Base-Backbone interact. energy: -0.417
local terms energy: -53.927863
where:
bonds (distance) C4'-P energy: -7.462
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -8.506
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: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -102.162389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.162389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.162389 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -32.092
Base-Backbone interact. energy: -0.158
local terms energy: -67.489771
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -321.393807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.393807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.393807 (E_RNA)
where:
Base-Base interactions energy: -211.762
where: short stacking energy: -94.816
Base-Backbone interact. energy: 1.265
local terms energy: -110.896951
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -318.935108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.935108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.935108 (E_RNA)
where:
Base-Base interactions energy: -206.031
where: short stacking energy: -90.964
Base-Backbone interact. energy: -0.899
local terms energy: -112.005499
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -25.174
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: 481
Temperature: 1.000000
Total energy: -291.571187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.571187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.571187 (E_RNA)
where:
Base-Base interactions energy: -197.590
where: short stacking energy: -74.820
Base-Backbone interact. energy: 0.168
local terms energy: -94.149948
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -17.914
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: 481
Temperature: 1.050000
Total energy: -253.925337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.925337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.925337 (E_RNA)
where:
Base-Base interactions energy: -151.601
where: short stacking energy: -81.932
Base-Backbone interact. energy: -0.182
local terms energy: -102.142124
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -260.152611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.152611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.152611 (E_RNA)
where:
Base-Base interactions energy: -173.355
where: short stacking energy: -80.138
Base-Backbone interact. energy: -0.480
local terms energy: -86.317111
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -13.782
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: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -170.366669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.366669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.366669 (E_RNA)
where:
Base-Base interactions energy: -92.153
where: short stacking energy: -50.058
Base-Backbone interact. energy: -0.736
local terms energy: -77.477583
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -150.975741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.975741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.975741 (E_RNA)
where:
Base-Base interactions energy: -68.409
where: short stacking energy: -68.381
Base-Backbone interact. energy: -0.003
local terms energy: -82.563271
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -17.181
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: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -121.912817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.912817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.912817 (E_RNA)
where:
Base-Base interactions energy: -49.797
where: short stacking energy: -49.797
Base-Backbone interact. energy: 0.000
local terms energy: -72.115711
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -105.304113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.304113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.304113 (E_RNA)
where:
Base-Base interactions energy: -36.385
where: short stacking energy: -24.810
Base-Backbone interact. energy: -0.514
local terms energy: -68.405160
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: 0.635
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: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -102.627833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.627833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.627833 (E_RNA)
where:
Base-Base interactions energy: -39.958
where: short stacking energy: -37.639
Base-Backbone interact. energy: -0.373
local terms energy: -62.297412
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: 3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -323.765124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.765124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.765124 (E_RNA)
where:
Base-Base interactions energy: -217.061
where: short stacking energy: -97.820
Base-Backbone interact. energy: -0.062
local terms energy: -106.641526
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -25.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -323.182440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.182440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.182440 (E_RNA)
where:
Base-Base interactions energy: -221.996
where: short stacking energy: -97.511
Base-Backbone interact. energy: -0.263
local terms energy: -100.924018
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -299.854526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.854526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.854526 (E_RNA)
where:
Base-Base interactions energy: -197.427
where: short stacking energy: -81.236
Base-Backbone interact. energy: -2.352
local terms energy: -100.076351
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -21.173
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: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -242.185652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.185652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.185652 (E_RNA)
where:
Base-Base interactions energy: -144.750
where: short stacking energy: -86.655
Base-Backbone interact. energy: -0.118
local terms energy: -97.317596
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -16.368
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: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -277.271019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.271019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.271019 (E_RNA)
where:
Base-Base interactions energy: -178.626
where: short stacking energy: -88.741
Base-Backbone interact. energy: -0.424
local terms energy: -98.220953
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -170.764381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.764381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.764381 (E_RNA)
where:
Base-Base interactions energy: -86.383
where: short stacking energy: -55.721
Base-Backbone interact. energy: 0.601
local terms energy: -84.982435
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -22.764
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -10.888
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: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -144.127363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.127363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.127363 (E_RNA)
where:
Base-Base interactions energy: -74.532
where: short stacking energy: -55.330
Base-Backbone interact. energy: 0.306
local terms energy: -69.902303
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -126.088726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.088726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.088726 (E_RNA)
where:
Base-Base interactions energy: -57.789
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.171
local terms energy: -68.129375
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -1.983
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -102.379303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.379303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.379303 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -27.893
Base-Backbone interact. energy: -0.469
local terms energy: -65.424281
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -112.520336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.520336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.520336 (E_RNA)
where:
Base-Base interactions energy: -49.802
where: short stacking energy: -49.713
Base-Backbone interact. energy: 0.314
local terms energy: -63.033003
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -7.522
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: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -326.505060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.505060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.505060 (E_RNA)
where:
Base-Base interactions energy: -219.248
where: short stacking energy: -98.139
Base-Backbone interact. energy: -0.086
local terms energy: -107.171596
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -26.446
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: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -316.517663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.517663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.517663 (E_RNA)
where:
Base-Base interactions energy: -212.370
where: short stacking energy: -95.285
Base-Backbone interact. energy: -0.205
local terms energy: -103.942648
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -22.698
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: 483
Temperature: 1.000000
Total energy: -287.781826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.781826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.781826 (E_RNA)
where:
Base-Base interactions energy: -197.694
where: short stacking energy: -82.142
Base-Backbone interact. energy: -2.186
local terms energy: -87.901417
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -251.559403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.559403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.559403 (E_RNA)
where:
Base-Base interactions energy: -151.922
where: short stacking energy: -81.067
Base-Backbone interact. energy: -0.900
local terms energy: -98.737578
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -23.806
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: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -265.454340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.454340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.454340 (E_RNA)
where:
Base-Base interactions energy: -176.482
where: short stacking energy: -71.320
Base-Backbone interact. energy: -0.872
local terms energy: -88.100482
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -22.250
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -171.650941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.650941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.650941 (E_RNA)
where:
Base-Base interactions energy: -95.045
where: short stacking energy: -44.473
Base-Backbone interact. energy: -0.842
local terms energy: -75.764492
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -128.275323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.275323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.275323 (E_RNA)
where:
Base-Base interactions energy: -61.586
where: short stacking energy: -40.338
Base-Backbone interact. energy: -0.344
local terms energy: -66.345462
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -108.600153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.600153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.600153 (E_RNA)
where:
Base-Base interactions energy: -36.784
where: short stacking energy: -35.683
Base-Backbone interact. energy: -0.385
local terms energy: -71.431434
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -5.688
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: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -111.123997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.123997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.123997 (E_RNA)
where:
Base-Base interactions energy: -56.939
where: short stacking energy: -50.469
Base-Backbone interact. energy: -0.150
local terms energy: -54.035419
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: 1.822
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: 483
Temperature: 1.350000
Total energy: -104.412300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.412300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.412300 (E_RNA)
where:
Base-Base interactions energy: -41.899
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.093
local terms energy: -62.420004
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -316.991301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.991301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.991301 (E_RNA)
where:
Base-Base interactions energy: -209.332
where: short stacking energy: -89.382
Base-Backbone interact. energy: -0.172
local terms energy: -107.486753
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -25.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -300.053755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.053755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.053755 (E_RNA)
where:
Base-Base interactions energy: -196.516
where: short stacking energy: -89.958
Base-Backbone interact. energy: -0.324
local terms energy: -103.214044
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -15.898
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: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -297.557410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.557410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.557410 (E_RNA)
where:
Base-Base interactions energy: -206.590
where: short stacking energy: -85.919
Base-Backbone interact. energy: -0.233
local terms energy: -90.734551
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -254.323068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.323068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.323068 (E_RNA)
where:
Base-Base interactions energy: -155.731
where: short stacking energy: -86.420
Base-Backbone interact. energy: -0.091
local terms energy: -98.500229
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -25.891
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: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -250.112794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.112794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.112794 (E_RNA)
where:
Base-Base interactions energy: -170.994
where: short stacking energy: -82.014
Base-Backbone interact. energy: -1.213
local terms energy: -77.905384
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.161
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: 6, replica: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -176.540435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.540435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.540435 (E_RNA)
where:
Base-Base interactions energy: -103.875
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.891
local terms energy: -71.775061
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -10.149
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: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -123.835175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.835175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.835175 (E_RNA)
where:
Base-Base interactions energy: -54.337
where: short stacking energy: -44.141
Base-Backbone interact. energy: -0.101
local terms energy: -69.397561
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -7.281
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: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -124.756986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.756986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.756986 (E_RNA)
where:
Base-Base interactions energy: -48.912
where: short stacking energy: -37.180
Base-Backbone interact. energy: -0.259
local terms energy: -75.586194
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: 1.740
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: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -107.576628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.576628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.576628 (E_RNA)
where:
Base-Base interactions energy: -45.460
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.651
local terms energy: -61.465347
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -2.808
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: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -109.408743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.408743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.408743 (E_RNA)
where:
Base-Base interactions energy: -41.134
where: short stacking energy: -41.134
Base-Backbone interact. energy: -0.344
local terms energy: -67.930345
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -9.668
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: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -316.246568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.246568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.246568 (E_RNA)
where:
Base-Base interactions energy: -207.578
where: short stacking energy: -93.421
Base-Backbone interact. energy: -0.221
local terms energy: -108.447854
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -324.715695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.715695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.715695 (E_RNA)
where:
Base-Base interactions energy: -226.183
where: short stacking energy: -90.812
Base-Backbone interact. energy: -1.012
local terms energy: -97.520135
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -24.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -298.025156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.025156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.025156 (E_RNA)
where:
Base-Base interactions energy: -199.623
where: short stacking energy: -82.503
Base-Backbone interact. energy: -2.219
local terms energy: -96.183181
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -23.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -253.898540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.898540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.898540 (E_RNA)
where:
Base-Base interactions energy: -153.225
where: short stacking energy: -89.722
Base-Backbone interact. energy: -0.439
local terms energy: -100.234773
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -276.675496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.675496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.675496 (E_RNA)
where:
Base-Base interactions energy: -176.380
where: short stacking energy: -79.781
Base-Backbone interact. energy: -0.164
local terms energy: -100.131181
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -15.880
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: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -145.080152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.080152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.080152 (E_RNA)
where:
Base-Base interactions energy: -59.695
where: short stacking energy: -46.647
Base-Backbone interact. energy: 0.677
local terms energy: -86.062104
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -3.964
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: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -159.870839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.870839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.870839 (E_RNA)
where:
Base-Base interactions energy: -85.428
where: short stacking energy: -49.903
Base-Backbone interact. energy: -0.061
local terms energy: -74.382681
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -130.008987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.008987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.008987 (E_RNA)
where:
Base-Base interactions energy: -72.558
where: short stacking energy: -38.880
Base-Backbone interact. energy: -0.575
local terms energy: -56.876392
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -103.664699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.664699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.664699 (E_RNA)
where:
Base-Base interactions energy: -34.379
where: short stacking energy: -29.141
Base-Backbone interact. energy: 0.659
local terms energy: -69.944602
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -127.618668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.618668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.618668 (E_RNA)
where:
Base-Base interactions energy: -66.137
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.547
local terms energy: -60.935040
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: 1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -323.400288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.400288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.400288 (E_RNA)
where:
Base-Base interactions energy: -212.391
where: short stacking energy: -95.387
Base-Backbone interact. energy: -0.228
local terms energy: -110.781462
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -308.863098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.863098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.863098 (E_RNA)
where:
Base-Base interactions energy: -210.136
where: short stacking energy: -91.769
Base-Backbone interact. energy: -0.542
local terms energy: -98.184424
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -25.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -293.397591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.397591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.397591 (E_RNA)
where:
Base-Base interactions energy: -198.148
where: short stacking energy: -82.689
Base-Backbone interact. energy: -0.205
local terms energy: -95.044645
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -260.068457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.068457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.068457 (E_RNA)
where:
Base-Base interactions energy: -163.020
where: short stacking energy: -86.840
Base-Backbone interact. energy: 1.240
local terms energy: -98.288335
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -276.982707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.982707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.982707 (E_RNA)
where:
Base-Base interactions energy: -169.773
where: short stacking energy: -79.139
Base-Backbone interact. energy: -2.477
local terms energy: -104.732630
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -27.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -135.883550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.883550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.883550 (E_RNA)
where:
Base-Base interactions energy: -58.778
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.114
local terms energy: -76.990849
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -9.891
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: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -155.537422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.537422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.537422 (E_RNA)
where:
Base-Base interactions energy: -75.184
where: short stacking energy: -46.892
Base-Backbone interact. energy: 0.224
local terms energy: -80.578214
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -12.986
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: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -114.757919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.757919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.757919 (E_RNA)
where:
Base-Base interactions energy: -48.131
where: short stacking energy: -39.949
Base-Backbone interact. energy: -0.358
local terms energy: -66.268066
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -6.730
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: 486
Temperature: 1.300000
Total energy: -105.108642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.108642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.108642 (E_RNA)
where:
Base-Base interactions energy: -41.733
where: short stacking energy: -40.226
Base-Backbone interact. energy: -0.259
local terms energy: -63.116537
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -2.231
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: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -104.458632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.458632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.458632 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -33.746
Base-Backbone interact. energy: -0.263
local terms energy: -65.572420
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -324.315522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.315522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.315522 (E_RNA)
where:
Base-Base interactions energy: -216.964
where: short stacking energy: -103.039
Base-Backbone interact. energy: -0.106
local terms energy: -107.246273
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -26.509
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: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -296.067771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.067771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.067771 (E_RNA)
where:
Base-Base interactions energy: -199.723
where: short stacking energy: -87.250
Base-Backbone interact. energy: 0.748
local terms energy: -97.092308
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -306.985216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.985216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.985216 (E_RNA)
where:
Base-Base interactions energy: -205.176
where: short stacking energy: -90.384
Base-Backbone interact. energy: -0.835
local terms energy: -100.974387
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -24.039
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: 487
Temperature: 1.050000
Total energy: -291.702941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.702941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.702941 (E_RNA)
where:
Base-Base interactions energy: -198.681
where: short stacking energy: -86.140
Base-Backbone interact. energy: -0.162
local terms energy: -92.860331
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -23.480
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: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -249.339355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.339355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.339355 (E_RNA)
where:
Base-Base interactions energy: -155.036
where: short stacking energy: -78.242
Base-Backbone interact. energy: 0.035
local terms energy: -94.337945
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -23.035
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: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -176.279154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.279154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.279154 (E_RNA)
where:
Base-Base interactions energy: -100.117
where: short stacking energy: -51.990
Base-Backbone interact. energy: 2.249
local terms energy: -78.411488
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -121.714400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.714400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.714400 (E_RNA)
where:
Base-Base interactions energy: -52.727
where: short stacking energy: -45.176
Base-Backbone interact. energy: 0.239
local terms energy: -69.226520
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -1.102
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: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -119.938596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.938596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.938596 (E_RNA)
where:
Base-Base interactions energy: -59.995
where: short stacking energy: -48.197
Base-Backbone interact. energy: 0.897
local terms energy: -60.841177
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -117.544892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.544892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.544892 (E_RNA)
where:
Base-Base interactions energy: -42.251
where: short stacking energy: -40.019
Base-Backbone interact. energy: -0.323
local terms energy: -74.970847
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -4.241
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: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -98.332344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.332344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.332344 (E_RNA)
where:
Base-Base interactions energy: -31.092
where: short stacking energy: -29.373
Base-Backbone interact. energy: -0.360
local terms energy: -66.880542
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -3.400
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: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -325.317119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.317119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.317119 (E_RNA)
where:
Base-Base interactions energy: -211.654
where: short stacking energy: -101.531
Base-Backbone interact. energy: -0.484
local terms energy: -113.179142
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -299.386556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.386556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.386556 (E_RNA)
where:
Base-Base interactions energy: -197.045
where: short stacking energy: -93.221
Base-Backbone interact. energy: -0.772
local terms energy: -101.569764
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -298.256614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.256614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.256614 (E_RNA)
where:
Base-Base interactions energy: -194.118
where: short stacking energy: -90.783
Base-Backbone interact. energy: -0.361
local terms energy: -103.777764
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -306.082462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.082462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.082462 (E_RNA)
where:
Base-Base interactions energy: -210.801
where: short stacking energy: -96.095
Base-Backbone interact. energy: 2.188
local terms energy: -97.469296
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -25.765
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: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -233.796468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.796468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.796468 (E_RNA)
where:
Base-Base interactions energy: -149.568
where: short stacking energy: -74.987
Base-Backbone interact. energy: -0.210
local terms energy: -84.018816
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -162.258481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.258481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.258481 (E_RNA)
where:
Base-Base interactions energy: -83.279
where: short stacking energy: -60.677
Base-Backbone interact. energy: -0.704
local terms energy: -78.275421
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -127.079562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.079562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.079562 (E_RNA)
where:
Base-Base interactions energy: -63.665
where: short stacking energy: -36.564
Base-Backbone interact. energy: -0.304
local terms energy: -63.110666
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -121.987475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.987475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.987475 (E_RNA)
where:
Base-Base interactions energy: -53.188
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.084
local terms energy: -68.715955
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -115.502451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.502451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.502451 (E_RNA)
where:
Base-Base interactions energy: -42.004
where: short stacking energy: -40.983
Base-Backbone interact. energy: -0.117
local terms energy: -73.381464
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -99.732561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.732561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.732561 (E_RNA)
where:
Base-Base interactions energy: -40.247
where: short stacking energy: -38.858
Base-Backbone interact. energy: -0.123
local terms energy: -59.362517
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -321.517949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.517949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.517949 (E_RNA)
where:
Base-Base interactions energy: -218.345
where: short stacking energy: -95.912
Base-Backbone interact. energy: 0.103
local terms energy: -103.275843
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -24.612
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: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -304.806092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.806092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.806092 (E_RNA)
where:
Base-Base interactions energy: -199.124
where: short stacking energy: -92.414
Base-Backbone interact. energy: -0.807
local terms energy: -104.874406
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -25.262
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: 489
Temperature: 1.000000
Total energy: -276.811931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.811931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.811931 (E_RNA)
where:
Base-Base interactions energy: -178.706
where: short stacking energy: -78.735
Base-Backbone interact. energy: -0.697
local terms energy: -97.409001
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -289.246313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.246313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.246313 (E_RNA)
where:
Base-Base interactions energy: -194.272
where: short stacking energy: -84.875
Base-Backbone interact. energy: -0.159
local terms energy: -94.816175
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -19.839
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: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -228.504799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.504799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.504799 (E_RNA)
where:
Base-Base interactions energy: -136.467
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.153
local terms energy: -91.884837
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -20.195
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: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -167.231222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.231222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.231222 (E_RNA)
where:
Base-Base interactions energy: -87.304
where: short stacking energy: -56.240
Base-Backbone interact. energy: 1.384
local terms energy: -81.311324
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -134.038547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.038547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.038547 (E_RNA)
where:
Base-Base interactions energy: -57.473
where: short stacking energy: -55.323
Base-Backbone interact. energy: 0.974
local terms energy: -77.539839
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -125.343698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.343698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.343698 (E_RNA)
where:
Base-Base interactions energy: -74.052
where: short stacking energy: -59.889
Base-Backbone interact. energy: -0.212
local terms energy: -51.080318
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.929
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: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -102.038598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.038598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.038598 (E_RNA)
where:
Base-Base interactions energy: -29.346
where: short stacking energy: -26.309
Base-Backbone interact. energy: -0.642
local terms energy: -72.050311
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -109.112879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.112879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.112879 (E_RNA)
where:
Base-Base interactions energy: -46.864
where: short stacking energy: -34.773
Base-Backbone interact. energy: 1.017
local terms energy: -63.266409
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/RND30-df3c2177_01
DONE
DONE
DONE
DONE