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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/15-Agno-O-0d337848/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-O-0d337848/inputs/seq.fa: 1
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -100.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292991 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
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: 2
Temperature: 0.900000
Total energy: -173.571643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.571643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.571643 (E_RNA)
where:
Base-Base interactions energy: -89.838
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.030
local terms energy: -83.703673
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -174.511778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.511778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.511778 (E_RNA)
where:
Base-Base interactions energy: -91.429
where: short stacking energy: -65.882
Base-Backbone interact. energy: -0.227
local terms energy: -82.855804
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -129.032246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.032246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.032246 (E_RNA)
where:
Base-Base interactions energy: -52.075
where: short stacking energy: -52.075
Base-Backbone interact. energy: -0.019
local terms energy: -76.937475
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -8.182
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -144.319856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.319856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.319856 (E_RNA)
where:
Base-Base interactions energy: -64.728
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.018
local terms energy: -79.574350
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -113.779279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.779279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.779279 (E_RNA)
where:
Base-Base interactions energy: -52.686
where: short stacking energy: -47.235
Base-Backbone interact. energy: -0.126
local terms energy: -60.967610
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -6.602
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -119.963824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.963824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.963824 (E_RNA)
where:
Base-Base interactions energy: -50.891
where: short stacking energy: -42.284
Base-Backbone interact. energy: 0.337
local terms energy: -69.410144
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -8.092
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -132.059954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.059954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.059954 (E_RNA)
where:
Base-Base interactions energy: -64.078
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.596
local terms energy: -67.385714
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -99.604302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.604302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.604302 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -95.955611
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -6.395
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -99.604303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.604303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.604303 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -95.955611
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -99.604303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.604303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.604303 (E_RNA)
where:
Base-Base interactions energy: -3.649
where: short stacking energy: -3.649
Base-Backbone interact. energy: -0.000
local terms energy: -95.955611
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -167.781216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.781216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.781216 (E_RNA)
where:
Base-Base interactions energy: -81.272
where: short stacking energy: -63.957
Base-Backbone interact. energy: -0.490
local terms energy: -86.019590
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -12.174
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -154.915772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.915772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.915772 (E_RNA)
where:
Base-Base interactions energy: -74.655
where: short stacking energy: -57.166
Base-Backbone interact. energy: 0.542
local terms energy: -80.802948
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -178.769887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.769887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.769887 (E_RNA)
where:
Base-Base interactions energy: -105.292
where: short stacking energy: -63.948
Base-Backbone interact. energy: 0.156
local terms energy: -73.633967
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -140.826447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.826447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.826447 (E_RNA)
where:
Base-Base interactions energy: -63.202
where: short stacking energy: -45.923
Base-Backbone interact. energy: -0.180
local terms energy: -77.444692
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -9.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -125.996369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.996369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.996369 (E_RNA)
where:
Base-Base interactions energy: -62.660
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.818
local terms energy: -62.517952
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -12.327
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -160.212783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.212783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.212783 (E_RNA)
where:
Base-Base interactions energy: -83.245
where: short stacking energy: -43.782
Base-Backbone interact. energy: -0.314
local terms energy: -76.654123
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -121.321761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.321761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.321761 (E_RNA)
where:
Base-Base interactions energy: -65.453
where: short stacking energy: -50.560
Base-Backbone interact. energy: -0.343
local terms energy: -55.525967
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -102.440710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.440710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.440710 (E_RNA)
where:
Base-Base interactions energy: -40.127
where: short stacking energy: -31.781
Base-Backbone interact. energy: 0.235
local terms energy: -62.548840
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -92.190838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.190838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.190838 (E_RNA)
where:
Base-Base interactions energy: -34.111
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.025
local terms energy: -58.055362
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: 3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -87.728370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.728370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.728370 (E_RNA)
where:
Base-Base interactions energy: -33.502
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.299
local terms energy: -53.927143
where:
bonds (distance) C4'-P energy: -6.570
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -182.205577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.205577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.205577 (E_RNA)
where:
Base-Base interactions energy: -102.893
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.705
local terms energy: -78.608243
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -163.583782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.583782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.583782 (E_RNA)
where:
Base-Base interactions energy: -97.754
where: short stacking energy: -57.529
Base-Backbone interact. energy: 1.221
local terms energy: -67.050359
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -3.160
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: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -184.563344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.563344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.563344 (E_RNA)
where:
Base-Base interactions energy: -102.836
where: short stacking energy: -59.307
Base-Backbone interact. energy: -0.111
local terms energy: -81.615535
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -168.250599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.250599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.250599 (E_RNA)
where:
Base-Base interactions energy: -95.106
where: short stacking energy: -48.218
Base-Backbone interact. energy: -0.227
local terms energy: -72.917667
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -8.543
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -128.591170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.591170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.591170 (E_RNA)
where:
Base-Base interactions energy: -57.080
where: short stacking energy: -49.071
Base-Backbone interact. energy: -0.616
local terms energy: -70.895255
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -130.492522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.492522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.492522 (E_RNA)
where:
Base-Base interactions energy: -58.395
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.035
local terms energy: -72.062598
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -115.546508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.546508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.546508 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -39.923
Base-Backbone interact. energy: 0.080
local terms energy: -75.703268
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -9.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -101.626083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.626083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.626083 (E_RNA)
where:
Base-Base interactions energy: -47.389
where: short stacking energy: -39.238
Base-Backbone interact. energy: -0.611
local terms energy: -53.626221
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -103.440701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.440701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.440701 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -28.394
Base-Backbone interact. energy: -0.515
local terms energy: -52.218342
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -79.066528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.066528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.066528 (E_RNA)
where:
Base-Base interactions energy: -33.160
where: short stacking energy: -18.710
Base-Backbone interact. energy: -0.417
local terms energy: -45.489801
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -213.978100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.978100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.978100 (E_RNA)
where:
Base-Base interactions energy: -127.101
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.806
local terms energy: -86.071087
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -195.791065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.791065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.791065 (E_RNA)
where:
Base-Base interactions energy: -114.217
where: short stacking energy: -73.234
Base-Backbone interact. energy: 0.612
local terms energy: -82.185464
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -166.599301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.599301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.599301 (E_RNA)
where:
Base-Base interactions energy: -92.914
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.227
local terms energy: -73.459016
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -7.413
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -166.847798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.847798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.847798 (E_RNA)
where:
Base-Base interactions energy: -93.904
where: short stacking energy: -55.778
Base-Backbone interact. energy: -0.105
local terms energy: -72.837927
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -118.025332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.025332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.025332 (E_RNA)
where:
Base-Base interactions energy: -57.564
where: short stacking energy: -38.827
Base-Backbone interact. energy: -0.490
local terms energy: -59.971445
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -7.262
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: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -117.018020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.018020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.018020 (E_RNA)
where:
Base-Base interactions energy: -52.968
where: short stacking energy: -48.770
Base-Backbone interact. energy: -0.121
local terms energy: -63.929072
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -93.125928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.125928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.125928 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.556
local terms energy: -55.493951
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -144.025043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.025043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.025043 (E_RNA)
where:
Base-Base interactions energy: -79.997
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.366
local terms energy: -63.662364
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -97.563108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.563108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.563108 (E_RNA)
where:
Base-Base interactions energy: -38.263
where: short stacking energy: -32.057
Base-Backbone interact. energy: -0.175
local terms energy: -59.125256
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -100.022127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022127 (E_RNA)
where:
Base-Base interactions energy: -45.219
where: short stacking energy: -35.671
Base-Backbone interact. energy: -0.100
local terms energy: -54.703120
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -6.330
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: 6
Temperature: 0.900000
Total energy: -203.568388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.568388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.568388 (E_RNA)
where:
Base-Base interactions energy: -125.438
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.048
local terms energy: -78.082689
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -185.822076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.822076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.822076 (E_RNA)
where:
Base-Base interactions energy: -94.413
where: short stacking energy: -49.093
Base-Backbone interact. energy: -0.632
local terms energy: -90.777341
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -18.905
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: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -186.616504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.616504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.616504 (E_RNA)
where:
Base-Base interactions energy: -119.870
where: short stacking energy: -65.212
Base-Backbone interact. energy: -0.064
local terms energy: -66.682249
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -146.671764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.671764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.671764 (E_RNA)
where:
Base-Base interactions energy: -74.432
where: short stacking energy: -48.931
Base-Backbone interact. energy: -0.578
local terms energy: -71.661708
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -13.807
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: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -112.638844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.638844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.638844 (E_RNA)
where:
Base-Base interactions energy: -47.444
where: short stacking energy: -33.653
Base-Backbone interact. energy: -1.644
local terms energy: -63.551379
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -106.913562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.913562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.913562 (E_RNA)
where:
Base-Base interactions energy: -47.066
where: short stacking energy: -46.246
Base-Backbone interact. energy: 1.368
local terms energy: -61.215738
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -11.669
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: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -168.038756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.038756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.038756 (E_RNA)
where:
Base-Base interactions energy: -98.433
where: short stacking energy: -45.421
Base-Backbone interact. energy: -0.178
local terms energy: -69.427099
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -9.738
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: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -106.600285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.600285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.600285 (E_RNA)
where:
Base-Base interactions energy: -44.731
where: short stacking energy: -31.771
Base-Backbone interact. energy: -0.126
local terms energy: -61.743365
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -85.664391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.664391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.664391 (E_RNA)
where:
Base-Base interactions energy: -25.422
where: short stacking energy: -25.422
Base-Backbone interact. energy: -0.504
local terms energy: -59.738387
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -92.259477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.259477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.259477 (E_RNA)
where:
Base-Base interactions energy: -27.134
where: short stacking energy: -21.534
Base-Backbone interact. energy: -0.197
local terms energy: -64.929111
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -4.271
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: 7
Temperature: 0.900000
Total energy: -209.886378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.886378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.886378 (E_RNA)
where:
Base-Base interactions energy: -118.932
where: short stacking energy: -72.783
Base-Backbone interact. energy: -0.320
local terms energy: -90.634328
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -239.702100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.702100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.702100 (E_RNA)
where:
Base-Base interactions energy: -161.308
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.447
local terms energy: -77.946159
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -181.854976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.854976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.854976 (E_RNA)
where:
Base-Base interactions energy: -108.178
where: short stacking energy: -56.292
Base-Backbone interact. energy: 1.127
local terms energy: -74.803739
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -204.033941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.033941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.033941 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.818
local terms energy: -75.133758
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -11.241
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: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -126.667158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.667158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.667158 (E_RNA)
where:
Base-Base interactions energy: -55.224
where: short stacking energy: -41.405
Base-Backbone interact. energy: 2.688
local terms energy: -74.130291
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -159.745710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.745710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.745710 (E_RNA)
where:
Base-Base interactions energy: -83.935
where: short stacking energy: -46.332
Base-Backbone interact. energy: -0.445
local terms energy: -75.365831
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -102.183313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.183313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.183313 (E_RNA)
where:
Base-Base interactions energy: -53.938
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.025
local terms energy: -48.219965
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: 5.763
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: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -111.544128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.544128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.544128 (E_RNA)
where:
Base-Base interactions energy: -41.069
where: short stacking energy: -36.952
Base-Backbone interact. energy: 0.209
local terms energy: -70.684099
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -89.848157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.848157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.848157 (E_RNA)
where:
Base-Base interactions energy: -37.176
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.511
local terms energy: -52.160686
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -91.108335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.108335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.108335 (E_RNA)
where:
Base-Base interactions energy: -29.348
where: short stacking energy: -29.348
Base-Backbone interact. energy: -0.033
local terms energy: -61.727863
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -272.085393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.085393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.085393 (E_RNA)
where:
Base-Base interactions energy: -187.085
where: short stacking energy: -76.994
Base-Backbone interact. energy: 1.696
local terms energy: -86.695772
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -12.974
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: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -211.671475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.671475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.671475 (E_RNA)
where:
Base-Base interactions energy: -136.025
where: short stacking energy: -54.135
Base-Backbone interact. energy: -0.589
local terms energy: -75.057726
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -3.838
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: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -189.684703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.684703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.684703 (E_RNA)
where:
Base-Base interactions energy: -121.159
where: short stacking energy: -60.272
Base-Backbone interact. energy: -0.103
local terms energy: -68.422541
where:
bonds (distance) C4'-P energy: -7.961
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -153.025467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.025467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.025467 (E_RNA)
where:
Base-Base interactions energy: -75.612
where: short stacking energy: -43.404
Base-Backbone interact. energy: 0.511
local terms energy: -77.924301
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -195.435908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.435908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.435908 (E_RNA)
where:
Base-Base interactions energy: -122.372
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.704
local terms energy: -72.359682
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -128.076941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.076941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.076941 (E_RNA)
where:
Base-Base interactions energy: -72.654
where: short stacking energy: -29.751
Base-Backbone interact. energy: 0.249
local terms energy: -55.671455
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -110.025780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.025780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.025780 (E_RNA)
where:
Base-Base interactions energy: -39.405
where: short stacking energy: -27.026
Base-Backbone interact. energy: -0.180
local terms energy: -70.440689
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -99.743878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.743878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.743878 (E_RNA)
where:
Base-Base interactions energy: -37.525
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.554
local terms energy: -61.664786
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -2.438
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: 4
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -108.526276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.526276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.526276 (E_RNA)
where:
Base-Base interactions energy: -43.299
where: short stacking energy: -37.061
Base-Backbone interact. energy: -0.408
local terms energy: -64.819094
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -8.995
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: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -86.342326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.342326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.342326 (E_RNA)
where:
Base-Base interactions energy: -30.375
where: short stacking energy: -26.757
Base-Backbone interact. energy: -0.299
local terms energy: -55.668116
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: 1.528
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: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -247.235171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.235171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.235171 (E_RNA)
where:
Base-Base interactions energy: -162.088
where: short stacking energy: -60.839
Base-Backbone interact. energy: 0.699
local terms energy: -85.845542
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -14.029
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: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -229.632711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.632711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.632711 (E_RNA)
where:
Base-Base interactions energy: -153.326
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.146
local terms energy: -76.160551
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -198.353822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.353822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.353822 (E_RNA)
where:
Base-Base interactions energy: -116.595
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.400
local terms energy: -81.359198
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -233.912295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.912295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.912295 (E_RNA)
where:
Base-Base interactions energy: -150.543
where: short stacking energy: -50.561
Base-Backbone interact. energy: -0.199
local terms energy: -83.169786
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -12.837
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: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -131.875396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.875396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.875396 (E_RNA)
where:
Base-Base interactions energy: -58.761
where: short stacking energy: -49.325
Base-Backbone interact. energy: 0.832
local terms energy: -73.946513
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -124.571127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.571127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.571127 (E_RNA)
where:
Base-Base interactions energy: -58.513
where: short stacking energy: -42.995
Base-Backbone interact. energy: -0.707
local terms energy: -65.351056
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -108.580976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.580976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.580976 (E_RNA)
where:
Base-Base interactions energy: -55.798
where: short stacking energy: -40.072
Base-Backbone interact. energy: -0.393
local terms energy: -52.390139
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -89.563402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.563402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.563402 (E_RNA)
where:
Base-Base interactions energy: -35.448
where: short stacking energy: -36.780
Base-Backbone interact. energy: -0.183
local terms energy: -53.932878
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -7.207
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: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -84.424167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.424167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.424167 (E_RNA)
where:
Base-Base interactions energy: -29.462
where: short stacking energy: -24.365
Base-Backbone interact. energy: -0.379
local terms energy: -54.582724
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: 3.615
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -87.382055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.382055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.382055 (E_RNA)
where:
Base-Base interactions energy: -29.067
where: short stacking energy: -29.067
Base-Backbone interact. energy: -0.094
local terms energy: -58.220808
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -255.189274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.189274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.189274 (E_RNA)
where:
Base-Base interactions energy: -174.304
where: short stacking energy: -76.271
Base-Backbone interact. energy: 0.186
local terms energy: -81.071502
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -17.819
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: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -250.232435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.232435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.232435 (E_RNA)
where:
Base-Base interactions energy: -169.317
where: short stacking energy: -75.213
Base-Backbone interact. energy: 0.308
local terms energy: -81.223189
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -249.771735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.771735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.771735 (E_RNA)
where:
Base-Base interactions energy: -164.938
where: short stacking energy: -61.727
Base-Backbone interact. energy: 0.851
local terms energy: -85.684438
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -14.542
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: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -186.834949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.834949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.834949 (E_RNA)
where:
Base-Base interactions energy: -108.766
where: short stacking energy: -50.282
Base-Backbone interact. energy: -0.568
local terms energy: -77.500131
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -12.520
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: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -130.142052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.142052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.142052 (E_RNA)
where:
Base-Base interactions energy: -67.619
where: short stacking energy: -44.823
Base-Backbone interact. energy: -0.223
local terms energy: -62.300532
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -127.632402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.632402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.632402 (E_RNA)
where:
Base-Base interactions energy: -57.393
where: short stacking energy: -37.049
Base-Backbone interact. energy: 0.185
local terms energy: -70.424217
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -6.787
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: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -106.702887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.702887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.702887 (E_RNA)
where:
Base-Base interactions energy: -42.714
where: short stacking energy: -41.322
Base-Backbone interact. energy: -0.021
local terms energy: -63.967794
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -4.295
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: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -97.406677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.406677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.406677 (E_RNA)
where:
Base-Base interactions energy: -31.389
where: short stacking energy: -29.924
Base-Backbone interact. energy: 1.321
local terms energy: -67.338078
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -109.051257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.051257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.051257 (E_RNA)
where:
Base-Base interactions energy: -59.207
where: short stacking energy: -32.693
Base-Backbone interact. energy: -0.176
local terms energy: -49.668128
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -3.759
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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -107.716209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.716209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.716209 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.613
local terms energy: -64.191044
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -261.144195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.144195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.144195 (E_RNA)
where:
Base-Base interactions energy: -175.335
where: short stacking energy: -75.121
Base-Backbone interact. energy: -0.080
local terms energy: -85.729058
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -286.043968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.043968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.043968 (E_RNA)
where:
Base-Base interactions energy: -193.253
where: short stacking energy: -77.968
Base-Backbone interact. energy: -0.430
local terms energy: -92.361621
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -22.656
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: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -241.848937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.848937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.848937 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -63.478
Base-Backbone interact. energy: 0.451
local terms energy: -87.040961
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -14.948
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: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -211.045485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.045485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.045485 (E_RNA)
where:
Base-Base interactions energy: -127.995
where: short stacking energy: -58.643
Base-Backbone interact. energy: -0.782
local terms energy: -82.268485
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -131.393318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.393318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.393318 (E_RNA)
where:
Base-Base interactions energy: -62.348
where: short stacking energy: -44.544
Base-Backbone interact. energy: 0.674
local terms energy: -69.718669
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -126.708394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.708394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.708394 (E_RNA)
where:
Base-Base interactions energy: -58.547
where: short stacking energy: -45.966
Base-Backbone interact. energy: 1.447
local terms energy: -69.609035
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -102.512423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.512423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.512423 (E_RNA)
where:
Base-Base interactions energy: -43.920
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.771
local terms energy: -57.821163
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -2.793
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -97.644810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.644810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.644810 (E_RNA)
where:
Base-Base interactions energy: -38.480
where: short stacking energy: -34.865
Base-Backbone interact. energy: 0.322
local terms energy: -59.486413
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -95.248239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.248239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.248239 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -26.050
Base-Backbone interact. energy: 2.527
local terms energy: -62.559502
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -99.347811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.347811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.347811 (E_RNA)
where:
Base-Base interactions energy: -36.691
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.314
local terms energy: -62.342827
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -293.137243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.137243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.137243 (E_RNA)
where:
Base-Base interactions energy: -203.806
where: short stacking energy: -87.990
Base-Backbone interact. energy: -0.042
local terms energy: -89.288767
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -261.842376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.842376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.842376 (E_RNA)
where:
Base-Base interactions energy: -172.819
where: short stacking energy: -60.931
Base-Backbone interact. energy: -1.090
local terms energy: -87.933061
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -21.312
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: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -287.024463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.024463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.024463 (E_RNA)
where:
Base-Base interactions energy: -202.833
where: short stacking energy: -85.127
Base-Backbone interact. energy: -0.050
local terms energy: -84.142056
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -205.093753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.093753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.093753 (E_RNA)
where:
Base-Base interactions energy: -136.130
where: short stacking energy: -54.030
Base-Backbone interact. energy: -0.561
local terms energy: -68.403194
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -124.149141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.149141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.149141 (E_RNA)
where:
Base-Base interactions energy: -52.264
where: short stacking energy: -46.250
Base-Backbone interact. energy: -0.115
local terms energy: -71.769731
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -148.985551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.985551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.985551 (E_RNA)
where:
Base-Base interactions energy: -74.253
where: short stacking energy: -54.181
Base-Backbone interact. energy: -0.241
local terms energy: -74.491544
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -106.382990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.382990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.382990 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -33.023
Base-Backbone interact. energy: -1.030
local terms energy: -63.450162
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -99.885762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.885762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.885762 (E_RNA)
where:
Base-Base interactions energy: -35.122
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.173
local terms energy: -64.590950
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -124.946944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.946944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.946944 (E_RNA)
where:
Base-Base interactions energy: -61.724
where: short stacking energy: -39.587
Base-Backbone interact. energy: -0.146
local terms energy: -63.077154
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -84.649253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.649253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.649253 (E_RNA)
where:
Base-Base interactions energy: -23.128
where: short stacking energy: -23.228
Base-Backbone interact. energy: -0.272
local terms energy: -61.248971
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -0.193
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: 8
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -290.732631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.732631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.732631 (E_RNA)
where:
Base-Base interactions energy: -191.364
where: short stacking energy: -85.683
Base-Backbone interact. energy: 0.202
local terms energy: -99.571259
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -28.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -288.549200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.549200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.549200 (E_RNA)
where:
Base-Base interactions energy: -200.065
where: short stacking energy: -84.625
Base-Backbone interact. energy: -0.101
local terms energy: -88.383991
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -24.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -256.377043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.377043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.377043 (E_RNA)
where:
Base-Base interactions energy: -175.159
where: short stacking energy: -73.902
Base-Backbone interact. energy: 0.514
local terms energy: -81.732122
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -228.239592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.239592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.239592 (E_RNA)
where:
Base-Base interactions energy: -147.762
where: short stacking energy: -76.593
Base-Backbone interact. energy: 0.628
local terms energy: -81.106274
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -151.270822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.270822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.270822 (E_RNA)
where:
Base-Base interactions energy: -82.032
where: short stacking energy: -51.787
Base-Backbone interact. energy: -0.201
local terms energy: -69.038327
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -106.079749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.079749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.079749 (E_RNA)
where:
Base-Base interactions energy: -49.435
where: short stacking energy: -48.284
Base-Backbone interact. energy: 0.624
local terms energy: -57.268129
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -7.344
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: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -112.124283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.124283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.124283 (E_RNA)
where:
Base-Base interactions energy: -44.172
where: short stacking energy: -44.172
Base-Backbone interact. energy: -0.104
local terms energy: -67.848127
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -13.498
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: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -109.166237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.166237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.166237 (E_RNA)
where:
Base-Base interactions energy: -47.567
where: short stacking energy: -34.711
Base-Backbone interact. energy: 0.263
local terms energy: -61.862552
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -97.374586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.374586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.374586 (E_RNA)
where:
Base-Base interactions energy: -44.840
where: short stacking energy: -17.064
Base-Backbone interact. energy: 1.003
local terms energy: -53.537883
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -9.007
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -86.289743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.289743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.289743 (E_RNA)
where:
Base-Base interactions energy: -22.516
where: short stacking energy: -20.518
Base-Backbone interact. energy: -0.204
local terms energy: -63.569176
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -295.521635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.521635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.521635 (E_RNA)
where:
Base-Base interactions energy: -192.079
where: short stacking energy: -91.931
Base-Backbone interact. energy: -0.006
local terms energy: -103.435951
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -16.297
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: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -286.767123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.767123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.767123 (E_RNA)
where:
Base-Base interactions energy: -201.176
where: short stacking energy: -94.013
Base-Backbone interact. energy: -0.045
local terms energy: -85.545302
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -25.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -271.458282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.458282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.458282 (E_RNA)
where:
Base-Base interactions energy: -185.654
where: short stacking energy: -76.016
Base-Backbone interact. energy: 0.111
local terms energy: -85.915086
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -223.082227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.082227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.082227 (E_RNA)
where:
Base-Base interactions energy: -154.161
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.325
local terms energy: -68.595950
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -17.775
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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -109.899901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.899901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.899901 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.131
local terms energy: -72.386168
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -127.035452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.035452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.035452 (E_RNA)
where:
Base-Base interactions energy: -58.156
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.131
local terms energy: -68.748667
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -8.763
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: 14
Temperature: 1.200000
Total energy: -109.519487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.519487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.519487 (E_RNA)
where:
Base-Base interactions energy: -37.729
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.214
local terms energy: -71.576634
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -7.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -110.679590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.679590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.679590 (E_RNA)
where:
Base-Base interactions energy: -41.784
where: short stacking energy: -37.103
Base-Backbone interact. energy: 0.458
local terms energy: -69.353183
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -8.191
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: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -87.959530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.959530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.959530 (E_RNA)
where:
Base-Base interactions energy: -28.391
where: short stacking energy: -28.391
Base-Backbone interact. energy: 1.292
local terms energy: -60.860520
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -106.828518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.828518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.828518 (E_RNA)
where:
Base-Base interactions energy: -48.944
where: short stacking energy: -37.300
Base-Backbone interact. energy: -0.152
local terms energy: -57.732653
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -299.377360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.377360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.377360 (E_RNA)
where:
Base-Base interactions energy: -209.540
where: short stacking energy: -84.812
Base-Backbone interact. energy: -0.059
local terms energy: -89.777659
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -24.168
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: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -285.106648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.106648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.106648 (E_RNA)
where:
Base-Base interactions energy: -187.807
where: short stacking energy: -85.302
Base-Backbone interact. energy: -0.053
local terms energy: -97.246851
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -26.806
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: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -265.278162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.278162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.278162 (E_RNA)
where:
Base-Base interactions energy: -180.395
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.074
local terms energy: -84.808924
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -227.832376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.832376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.832376 (E_RNA)
where:
Base-Base interactions energy: -144.133
where: short stacking energy: -63.190
Base-Backbone interact. energy: -0.873
local terms energy: -82.826670
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -160.792651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.792651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.792651 (E_RNA)
where:
Base-Base interactions energy: -92.404
where: short stacking energy: -49.600
Base-Backbone interact. energy: -0.079
local terms energy: -68.309357
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -103.979937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.979937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.979937 (E_RNA)
where:
Base-Base interactions energy: -38.519
where: short stacking energy: -33.629
Base-Backbone interact. energy: -0.051
local terms energy: -65.409950
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -104.243830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.243830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.243830 (E_RNA)
where:
Base-Base interactions energy: -38.752
where: short stacking energy: -28.308
Base-Backbone interact. energy: -0.918
local terms energy: -64.573875
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.773
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -99.692202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.692202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.692202 (E_RNA)
where:
Base-Base interactions energy: -34.249
where: short stacking energy: -32.108
Base-Backbone interact. energy: -0.354
local terms energy: -65.089748
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -97.907483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.907483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.907483 (E_RNA)
where:
Base-Base interactions energy: -30.315
where: short stacking energy: -24.595
Base-Backbone interact. energy: 0.905
local terms energy: -68.497271
where:
bonds (distance) C4'-P energy: -19.365
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -98.446494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.446494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.446494 (E_RNA)
where:
Base-Base interactions energy: -50.126
where: short stacking energy: -33.261
Base-Backbone interact. energy: -0.139
local terms energy: -48.181901
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -294.372469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.372469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.372469 (E_RNA)
where:
Base-Base interactions energy: -193.845
where: short stacking energy: -91.295
Base-Backbone interact. energy: -0.034
local terms energy: -100.493812
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -290.938948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.938948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.938948 (E_RNA)
where:
Base-Base interactions energy: -196.705
where: short stacking energy: -81.006
Base-Backbone interact. energy: -0.092
local terms energy: -94.142018
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -16.175
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -269.737810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.737810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.737810 (E_RNA)
where:
Base-Base interactions energy: -182.564
where: short stacking energy: -72.812
Base-Backbone interact. energy: 1.482
local terms energy: -88.656004
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -247.745586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.745586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.745586 (E_RNA)
where:
Base-Base interactions energy: -159.194
where: short stacking energy: -72.729
Base-Backbone interact. energy: -0.045
local terms energy: -88.507004
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -189.475563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.475563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.475563 (E_RNA)
where:
Base-Base interactions energy: -108.886
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.006
local terms energy: -80.583588
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -119.701946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.701946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.701946 (E_RNA)
where:
Base-Base interactions energy: -47.500
where: short stacking energy: -39.306
Base-Backbone interact. energy: -0.127
local terms energy: -72.075307
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -105.746131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.746131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.746131 (E_RNA)
where:
Base-Base interactions energy: -43.925
where: short stacking energy: -39.016
Base-Backbone interact. energy: -0.374
local terms energy: -61.446949
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -5.243
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: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -103.495928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.495928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.495928 (E_RNA)
where:
Base-Base interactions energy: -36.051
where: short stacking energy: -36.051
Base-Backbone interact. energy: -0.272
local terms energy: -67.173607
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -89.902325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.902325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.902325 (E_RNA)
where:
Base-Base interactions energy: -31.164
where: short stacking energy: -31.164
Base-Backbone interact. energy: -0.028
local terms energy: -58.709998
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -7.099
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: 16
Temperature: 1.350000
Total energy: -85.021470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.021470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.021470 (E_RNA)
where:
Base-Base interactions energy: -23.717
where: short stacking energy: -23.129
Base-Backbone interact. energy: -0.123
local terms energy: -61.181214
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -287.863790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.863790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.863790 (E_RNA)
where:
Base-Base interactions energy: -190.208
where: short stacking energy: -85.767
Base-Backbone interact. energy: -1.442
local terms energy: -96.213295
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -11.698
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: 17
Temperature: 0.950000
Total energy: -283.156140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.156140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.156140 (E_RNA)
where:
Base-Base interactions energy: -190.993
where: short stacking energy: -82.561
Base-Backbone interact. energy: -0.031
local terms energy: -92.131719
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -250.192036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.192036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.192036 (E_RNA)
where:
Base-Base interactions energy: -165.335
where: short stacking energy: -63.804
Base-Backbone interact. energy: -1.103
local terms energy: -83.753756
where:
bonds (distance) C4'-P energy: -20.398
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -242.881686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.881686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.881686 (E_RNA)
where:
Base-Base interactions energy: -157.938
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.522
local terms energy: -84.421480
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -188.838476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.838476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.838476 (E_RNA)
where:
Base-Base interactions energy: -106.194
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.236
local terms energy: -82.409115
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -17.001
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: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -132.880923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.880923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.880923 (E_RNA)
where:
Base-Base interactions energy: -62.101
where: short stacking energy: -42.656
Base-Backbone interact. energy: -0.949
local terms energy: -69.830487
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -98.313730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.313730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.313730 (E_RNA)
where:
Base-Base interactions energy: -26.669
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.030
local terms energy: -71.615344
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -12.879
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: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -98.723384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.723384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.723384 (E_RNA)
where:
Base-Base interactions energy: -42.761
where: short stacking energy: -35.735
Base-Backbone interact. energy: 0.536
local terms energy: -56.498442
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -92.797819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797819 (E_RNA)
where:
Base-Base interactions energy: -39.163
where: short stacking energy: -20.679
Base-Backbone interact. energy: -0.386
local terms energy: -53.248634
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.791
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: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -87.590850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.590850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.590850 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -30.250
Base-Backbone interact. energy: -0.323
local terms energy: -54.715595
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: 0.790
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: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -289.500403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.500403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.500403 (E_RNA)
where:
Base-Base interactions energy: -189.665
where: short stacking energy: -91.405
Base-Backbone interact. energy: 0.902
local terms energy: -100.738148
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -24.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -285.235215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.235215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.235215 (E_RNA)
where:
Base-Base interactions energy: -182.287
where: short stacking energy: -84.431
Base-Backbone interact. energy: -1.535
local terms energy: -101.413902
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -241.732812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.732812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.732812 (E_RNA)
where:
Base-Base interactions energy: -156.375
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.207
local terms energy: -85.151311
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -271.531111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.531111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.531111 (E_RNA)
where:
Base-Base interactions energy: -197.618
where: short stacking energy: -78.677
Base-Backbone interact. energy: -0.114
local terms energy: -73.798481
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -22.741
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: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -218.165643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.165643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.165643 (E_RNA)
where:
Base-Base interactions energy: -142.104
where: short stacking energy: -58.796
Base-Backbone interact. energy: -0.091
local terms energy: -75.971238
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -116.650184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.650184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.650184 (E_RNA)
where:
Base-Base interactions energy: -52.539
where: short stacking energy: -51.081
Base-Backbone interact. energy: -0.248
local terms energy: -63.863003
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -116.066670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.066670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.066670 (E_RNA)
where:
Base-Base interactions energy: -48.476
where: short stacking energy: -48.476
Base-Backbone interact. energy: -0.088
local terms energy: -67.502511
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -108.424802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.424802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.424802 (E_RNA)
where:
Base-Base interactions energy: -43.310
where: short stacking energy: -30.620
Base-Backbone interact. energy: 0.629
local terms energy: -65.743975
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -9.064
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: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -114.769212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.769212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.769212 (E_RNA)
where:
Base-Base interactions energy: -59.727
where: short stacking energy: -30.012
Base-Backbone interact. energy: -0.232
local terms energy: -54.810254
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -2.101
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -82.538350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538350 (E_RNA)
where:
Base-Base interactions energy: -26.185
where: short stacking energy: -21.176
Base-Backbone interact. energy: -0.129
local terms energy: -56.223716
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -8.363
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -293.223874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.223874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.223874 (E_RNA)
where:
Base-Base interactions energy: -192.792
where: short stacking energy: -86.776
Base-Backbone interact. energy: 0.100
local terms energy: -100.531115
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -25.603
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: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -288.365922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.365922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.365922 (E_RNA)
where:
Base-Base interactions energy: -189.244
where: short stacking energy: -87.262
Base-Backbone interact. energy: -0.001
local terms energy: -99.120603
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -26.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -254.934956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.934956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.934956 (E_RNA)
where:
Base-Base interactions energy: -164.474
where: short stacking energy: -71.953
Base-Backbone interact. energy: -1.007
local terms energy: -89.453220
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -19.201
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: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -271.778963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.778963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.778963 (E_RNA)
where:
Base-Base interactions energy: -197.531
where: short stacking energy: -72.976
Base-Backbone interact. energy: -0.799
local terms energy: -73.448835
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -206.586385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.586385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.586385 (E_RNA)
where:
Base-Base interactions energy: -128.653
where: short stacking energy: -61.993
Base-Backbone interact. energy: -0.123
local terms energy: -77.810035
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -124.109270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.109270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.109270 (E_RNA)
where:
Base-Base interactions energy: -59.164
where: short stacking energy: -45.568
Base-Backbone interact. energy: -0.214
local terms energy: -64.731185
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -119.504270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.504270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.504270 (E_RNA)
where:
Base-Base interactions energy: -44.273
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.002
local terms energy: -75.229364
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -9.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -100.639690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.639690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.639690 (E_RNA)
where:
Base-Base interactions energy: -45.797
where: short stacking energy: -33.263
Base-Backbone interact. energy: -1.442
local terms energy: -53.400914
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -10.751
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: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -89.468861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468861 (E_RNA)
where:
Base-Base interactions energy: -30.316
where: short stacking energy: -26.323
Base-Backbone interact. energy: 1.615
local terms energy: -60.768058
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -91.631331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.631331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.631331 (E_RNA)
where:
Base-Base interactions energy: -35.604
where: short stacking energy: -21.980
Base-Backbone interact. energy: 0.082
local terms energy: -56.109448
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -302.817206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.817206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.817206 (E_RNA)
where:
Base-Base interactions energy: -208.376
where: short stacking energy: -84.877
Base-Backbone interact. energy: -0.103
local terms energy: -94.338398
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -11.520
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: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -287.405492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.405492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.405492 (E_RNA)
where:
Base-Base interactions energy: -198.080
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.017
local terms energy: -89.308994
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -275.595071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.595071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.595071 (E_RNA)
where:
Base-Base interactions energy: -180.971
where: short stacking energy: -67.782
Base-Backbone interact. energy: -0.499
local terms energy: -94.125255
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -240.674689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.674689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.674689 (E_RNA)
where:
Base-Base interactions energy: -154.034
where: short stacking energy: -64.999
Base-Backbone interact. energy: -0.907
local terms energy: -85.733784
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -19.746
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: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -215.091829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091829 (E_RNA)
where:
Base-Base interactions energy: -139.534
where: short stacking energy: -64.021
Base-Backbone interact. energy: -0.005
local terms energy: -75.552843
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -20.265
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: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -105.617436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.617436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.617436 (E_RNA)
where:
Base-Base interactions energy: -42.755
where: short stacking energy: -33.969
Base-Backbone interact. energy: -0.199
local terms energy: -62.663583
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -12.725
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: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -99.350217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.350217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.350217 (E_RNA)
where:
Base-Base interactions energy: -42.351
where: short stacking energy: -39.658
Base-Backbone interact. energy: -0.187
local terms energy: -56.812518
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -98.456863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.456863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.456863 (E_RNA)
where:
Base-Base interactions energy: -46.857
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.150
local terms energy: -51.449885
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: 3.727
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: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -99.615165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.615165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.615165 (E_RNA)
where:
Base-Base interactions energy: -36.493
where: short stacking energy: -27.648
Base-Backbone interact. energy: -1.568
local terms energy: -61.554548
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -89.551496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.551496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.551496 (E_RNA)
where:
Base-Base interactions energy: -43.119
where: short stacking energy: -42.559
Base-Backbone interact. energy: -0.069
local terms energy: -46.363587
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -287.458372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.458372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.458372 (E_RNA)
where:
Base-Base interactions energy: -182.752
where: short stacking energy: -84.575
Base-Backbone interact. energy: -1.230
local terms energy: -103.476635
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -29.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -290.417350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.417350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.417350 (E_RNA)
where:
Base-Base interactions energy: -195.814
where: short stacking energy: -76.768
Base-Backbone interact. energy: -0.112
local terms energy: -94.491034
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -269.084628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.084628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.084628 (E_RNA)
where:
Base-Base interactions energy: -188.573
where: short stacking energy: -73.381
Base-Backbone interact. energy: -0.268
local terms energy: -80.243884
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -17.304
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: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -229.640663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.640663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.640663 (E_RNA)
where:
Base-Base interactions energy: -149.421
where: short stacking energy: -68.712
Base-Backbone interact. energy: -0.425
local terms energy: -79.795355
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -15.165
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: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -233.470927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.470927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.470927 (E_RNA)
where:
Base-Base interactions energy: -159.815
where: short stacking energy: -65.221
Base-Backbone interact. energy: 0.359
local terms energy: -74.014498
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -19.749
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: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -112.590906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.590906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.590906 (E_RNA)
where:
Base-Base interactions energy: -50.714
where: short stacking energy: -28.393
Base-Backbone interact. energy: -0.149
local terms energy: -61.727468
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -104.454514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.454514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.454514 (E_RNA)
where:
Base-Base interactions energy: -46.908
where: short stacking energy: -39.116
Base-Backbone interact. energy: -0.365
local terms energy: -57.181979
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -98.479790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.479790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.479790 (E_RNA)
where:
Base-Base interactions energy: -33.422
where: short stacking energy: -18.315
Base-Backbone interact. energy: 0.583
local terms energy: -65.640823
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -2.357
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: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -103.808056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.808056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.808056 (E_RNA)
where:
Base-Base interactions energy: -41.681
where: short stacking energy: -39.027
Base-Backbone interact. energy: -0.556
local terms energy: -61.571566
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -91.994280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.994280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.994280 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -25.536
Base-Backbone interact. energy: -0.488
local terms energy: -64.703597
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -14.771
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: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -299.241161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.241161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.241161 (E_RNA)
where:
Base-Base interactions energy: -204.531
where: short stacking energy: -86.325
Base-Backbone interact. energy: 0.384
local terms energy: -95.094630
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -26.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -281.413145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.413145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.413145 (E_RNA)
where:
Base-Base interactions energy: -193.121
where: short stacking energy: -75.027
Base-Backbone interact. energy: -0.355
local terms energy: -87.937340
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -23.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -229.016001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.016001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.016001 (E_RNA)
where:
Base-Base interactions energy: -148.743
where: short stacking energy: -59.782
Base-Backbone interact. energy: -0.802
local terms energy: -79.470627
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -278.712924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.712924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.712924 (E_RNA)
where:
Base-Base interactions energy: -190.812
where: short stacking energy: -83.563
Base-Backbone interact. energy: -0.162
local terms energy: -87.739421
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -236.751041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.751041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.751041 (E_RNA)
where:
Base-Base interactions energy: -163.678
where: short stacking energy: -64.719
Base-Backbone interact. energy: 0.499
local terms energy: -73.572219
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -99.717080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.717080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.717080 (E_RNA)
where:
Base-Base interactions energy: -36.814
where: short stacking energy: -36.814
Base-Backbone interact. energy: -0.446
local terms energy: -62.457445
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -105.800131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.800131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.800131 (E_RNA)
where:
Base-Base interactions energy: -41.285
where: short stacking energy: -39.706
Base-Backbone interact. energy: -0.233
local terms energy: -64.282545
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -104.637135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.637135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.637135 (E_RNA)
where:
Base-Base interactions energy: -32.584
where: short stacking energy: -26.543
Base-Backbone interact. energy: -0.039
local terms energy: -72.014276
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -14.883
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: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -86.430677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.430677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.430677 (E_RNA)
where:
Base-Base interactions energy: -25.630
where: short stacking energy: -22.368
Base-Backbone interact. energy: -0.401
local terms energy: -60.398927
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -4.942
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: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -94.467128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.467128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.467128 (E_RNA)
where:
Base-Base interactions energy: -32.786
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.284
local terms energy: -61.396625
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -5.930
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: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -301.240236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.240236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.240236 (E_RNA)
where:
Base-Base interactions energy: -205.130
where: short stacking energy: -83.587
Base-Backbone interact. energy: -0.372
local terms energy: -95.738002
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -28.169
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: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -293.825768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.825768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.825768 (E_RNA)
where:
Base-Base interactions energy: -206.215
where: short stacking energy: -81.839
Base-Backbone interact. energy: -0.101
local terms energy: -87.509758
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -227.606994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.606994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.606994 (E_RNA)
where:
Base-Base interactions energy: -153.073
where: short stacking energy: -67.537
Base-Backbone interact. energy: 0.596
local terms energy: -75.129574
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -271.131666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.131666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.131666 (E_RNA)
where:
Base-Base interactions energy: -179.503
where: short stacking energy: -82.220
Base-Backbone interact. energy: -1.019
local terms energy: -90.609449
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -227.493188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.493188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.493188 (E_RNA)
where:
Base-Base interactions energy: -161.346
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.398
local terms energy: -65.749088
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -14.193
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: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -114.617373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.617373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.617373 (E_RNA)
where:
Base-Base interactions energy: -58.717
where: short stacking energy: -30.264
Base-Backbone interact. energy: -0.544
local terms energy: -55.355565
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.431
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: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -118.655587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.655587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.655587 (E_RNA)
where:
Base-Base interactions energy: -60.561
where: short stacking energy: -41.714
Base-Backbone interact. energy: -0.060
local terms energy: -58.034194
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -4.325
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: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -97.764324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.764324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.764324 (E_RNA)
where:
Base-Base interactions energy: -35.026
where: short stacking energy: -20.169
Base-Backbone interact. energy: 0.644
local terms energy: -63.383044
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -1.865
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: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -94.889806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.889806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.889806 (E_RNA)
where:
Base-Base interactions energy: -40.316
where: short stacking energy: -29.142
Base-Backbone interact. energy: 3.585
local terms energy: -58.159239
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -3.229
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: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -92.180375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.180375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.180375 (E_RNA)
where:
Base-Base interactions energy: -37.495
where: short stacking energy: -25.086
Base-Backbone interact. energy: -0.276
local terms energy: -54.409666
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -293.133313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.133313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.133313 (E_RNA)
where:
Base-Base interactions energy: -200.582
where: short stacking energy: -74.819
Base-Backbone interact. energy: -0.090
local terms energy: -92.461740
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -24.837
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: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -287.545998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.545998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.545998 (E_RNA)
where:
Base-Base interactions energy: -189.021
where: short stacking energy: -84.521
Base-Backbone interact. energy: 1.317
local terms energy: -99.842063
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -27.847
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: 24
Temperature: 1.000000
Total energy: -276.440161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.440161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.440161 (E_RNA)
where:
Base-Base interactions energy: -177.805
where: short stacking energy: -87.011
Base-Backbone interact. energy: 1.020
local terms energy: -99.655119
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -222.326695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.326695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.326695 (E_RNA)
where:
Base-Base interactions energy: -147.836
where: short stacking energy: -50.231
Base-Backbone interact. energy: -1.155
local terms energy: -73.335651
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -15.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -218.538034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.538034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.538034 (E_RNA)
where:
Base-Base interactions energy: -141.061
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.782
local terms energy: -76.695312
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -158.141667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.141667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.141667 (E_RNA)
where:
Base-Base interactions energy: -87.608
where: short stacking energy: -43.618
Base-Backbone interact. energy: 0.981
local terms energy: -71.514488
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -100.860960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.860960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.860960 (E_RNA)
where:
Base-Base interactions energy: -42.730
where: short stacking energy: -34.780
Base-Backbone interact. energy: -0.320
local terms energy: -57.810261
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -104.809565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.809565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.809565 (E_RNA)
where:
Base-Base interactions energy: -54.797
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.451
local terms energy: -49.561499
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -4.272
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: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -96.815303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.815303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.815303 (E_RNA)
where:
Base-Base interactions energy: -32.753
where: short stacking energy: -26.928
Base-Backbone interact. energy: -0.566
local terms energy: -63.495926
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -89.447583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.447583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.447583 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -17.817
Base-Backbone interact. energy: -0.530
local terms energy: -57.155871
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -15.854
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: 25
Temperature: 0.900000
Total energy: -291.233923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.233923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.233923 (E_RNA)
where:
Base-Base interactions energy: -199.095
where: short stacking energy: -74.065
Base-Backbone interact. energy: -0.114
local terms energy: -92.025397
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -22.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -296.582709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.582709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.582709 (E_RNA)
where:
Base-Base interactions energy: -204.801
where: short stacking energy: -85.183
Base-Backbone interact. energy: -0.070
local terms energy: -91.712186
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -289.137553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.137553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.137553 (E_RNA)
where:
Base-Base interactions energy: -192.059
where: short stacking energy: -80.239
Base-Backbone interact. energy: 0.698
local terms energy: -97.776397
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -236.376205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.376205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.376205 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -72.109
Base-Backbone interact. energy: -0.002
local terms energy: -81.689835
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -229.416426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.416426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.416426 (E_RNA)
where:
Base-Base interactions energy: -151.899
where: short stacking energy: -67.171
Base-Backbone interact. energy: -0.948
local terms energy: -76.568843
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -19.011
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: 25
Temperature: 1.150000
Total energy: -159.186528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.186528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.186528 (E_RNA)
where:
Base-Base interactions energy: -84.961
where: short stacking energy: -47.169
Base-Backbone interact. energy: -1.772
local terms energy: -72.453759
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -13.915
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: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -107.286659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.286659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.286659 (E_RNA)
where:
Base-Base interactions energy: -44.330
where: short stacking energy: -44.330
Base-Backbone interact. energy: -0.054
local terms energy: -62.902670
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -120.303355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.303355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.303355 (E_RNA)
where:
Base-Base interactions energy: -57.906
where: short stacking energy: -30.350
Base-Backbone interact. energy: -1.382
local terms energy: -61.015939
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -86.827680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.827680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.827680 (E_RNA)
where:
Base-Base interactions energy: -24.172
where: short stacking energy: -17.759
Base-Backbone interact. energy: 0.284
local terms energy: -62.939590
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -94.741654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.741654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.741654 (E_RNA)
where:
Base-Base interactions energy: -32.788
where: short stacking energy: -28.374
Base-Backbone interact. energy: -0.730
local terms energy: -61.224031
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -293.353208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.353208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.353208 (E_RNA)
where:
Base-Base interactions energy: -199.119
where: short stacking energy: -79.758
Base-Backbone interact. energy: -0.112
local terms energy: -94.121818
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -11.428
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: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -286.689237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.689237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.689237 (E_RNA)
where:
Base-Base interactions energy: -187.071
where: short stacking energy: -82.090
Base-Backbone interact. energy: -0.079
local terms energy: -99.538888
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -26.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -268.245129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.245129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.245129 (E_RNA)
where:
Base-Base interactions energy: -195.782
where: short stacking energy: -74.391
Base-Backbone interact. energy: -0.130
local terms energy: -72.333623
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -12.754
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: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -221.766078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.766078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.766078 (E_RNA)
where:
Base-Base interactions energy: -138.396
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.127
local terms energy: -83.243375
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -18.835
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: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -218.991528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.991528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.991528 (E_RNA)
where:
Base-Base interactions energy: -142.717
where: short stacking energy: -68.660
Base-Backbone interact. energy: -0.126
local terms energy: -76.147937
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -167.086421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.086421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.086421 (E_RNA)
where:
Base-Base interactions energy: -95.092
where: short stacking energy: -47.004
Base-Backbone interact. energy: 0.443
local terms energy: -72.436437
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -100.435778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.435778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.435778 (E_RNA)
where:
Base-Base interactions energy: -40.298
where: short stacking energy: -37.373
Base-Backbone interact. energy: 0.393
local terms energy: -60.530633
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -12.622
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: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -89.335881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.335881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.335881 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -23.987
Base-Backbone interact. energy: -0.356
local terms energy: -56.174950
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -1.492
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: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -112.470777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.470777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.470777 (E_RNA)
where:
Base-Base interactions energy: -47.559
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.052
local terms energy: -64.859399
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -6.083
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: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -98.286591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.286591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.286591 (E_RNA)
where:
Base-Base interactions energy: -42.101
where: short stacking energy: -30.488
Base-Backbone interact. energy: 0.632
local terms energy: -56.817574
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -9.617
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: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -287.030418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.030418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.030418 (E_RNA)
where:
Base-Base interactions energy: -189.545
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.018
local terms energy: -97.467962
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -26.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -276.357132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.357132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.357132 (E_RNA)
where:
Base-Base interactions energy: -189.538
where: short stacking energy: -79.313
Base-Backbone interact. energy: -0.099
local terms energy: -86.719556
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -23.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -282.161161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.161161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.161161 (E_RNA)
where:
Base-Base interactions energy: -195.069
where: short stacking energy: -81.385
Base-Backbone interact. energy: 2.650
local terms energy: -89.742367
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -25.241
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: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -234.385218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.385218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.385218 (E_RNA)
where:
Base-Base interactions energy: -150.714
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.199
local terms energy: -83.472487
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -14.448
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: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -268.941198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.941198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.941198 (E_RNA)
where:
Base-Base interactions energy: -181.480
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.159
local terms energy: -87.302301
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -7.992
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: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -179.333221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.333221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.333221 (E_RNA)
where:
Base-Base interactions energy: -98.822
where: short stacking energy: -47.748
Base-Backbone interact. energy: -0.038
local terms energy: -80.473126
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -12.626
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: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -160.535513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.535513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.535513 (E_RNA)
where:
Base-Base interactions energy: -94.638
where: short stacking energy: -41.717
Base-Backbone interact. energy: -0.327
local terms energy: -65.570839
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -8.152
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: 27
Temperature: 1.250000
Total energy: -129.816825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.816825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.816825 (E_RNA)
where:
Base-Base interactions energy: -63.090
where: short stacking energy: -37.661
Base-Backbone interact. energy: -0.049
local terms energy: -66.677414
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -10.804
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: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -98.267782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.267782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.267782 (E_RNA)
where:
Base-Base interactions energy: -32.059
where: short stacking energy: -28.099
Base-Backbone interact. energy: -0.044
local terms energy: -66.164860
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -6.269
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: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -100.599605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.599605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.599605 (E_RNA)
where:
Base-Base interactions energy: -56.240
where: short stacking energy: -35.270
Base-Backbone interact. energy: -0.264
local terms energy: -44.095356
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -7.862
flat angles P-C4'-P energy: -8.300
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: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -293.931353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.931353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.931353 (E_RNA)
where:
Base-Base interactions energy: -196.305
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.104
local terms energy: -97.522547
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -300.348933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.348933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.348933 (E_RNA)
where:
Base-Base interactions energy: -205.245
where: short stacking energy: -86.747
Base-Backbone interact. energy: -0.063
local terms energy: -95.040898
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -26.150
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: 28
Temperature: 1.000000
Total energy: -281.020030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.020030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.020030 (E_RNA)
where:
Base-Base interactions energy: -194.347
where: short stacking energy: -73.460
Base-Backbone interact. energy: -0.149
local terms energy: -86.523798
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -26.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -239.205697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.205697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.205697 (E_RNA)
where:
Base-Base interactions energy: -156.588
where: short stacking energy: -68.441
Base-Backbone interact. energy: -0.360
local terms energy: -82.257885
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -227.409054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.409054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.409054 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -63.259
Base-Backbone interact. energy: -0.779
local terms energy: -81.812249
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -16.383
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: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -258.782057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.782057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.782057 (E_RNA)
where:
Base-Base interactions energy: -172.328
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.652
local terms energy: -85.802181
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -157.113417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.113417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.113417 (E_RNA)
where:
Base-Base interactions energy: -93.459
where: short stacking energy: -48.697
Base-Backbone interact. energy: -0.012
local terms energy: -63.642540
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -121.778514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.778514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.778514 (E_RNA)
where:
Base-Base interactions energy: -50.354
where: short stacking energy: -39.526
Base-Backbone interact. energy: -1.055
local terms energy: -70.370027
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -113.050687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.050687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.050687 (E_RNA)
where:
Base-Base interactions energy: -56.911
where: short stacking energy: -26.042
Base-Backbone interact. energy: -0.486
local terms energy: -55.654109
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -2.687
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: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -74.796469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.796469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.796469 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -19.724
Base-Backbone interact. energy: 0.202
local terms energy: -46.006601
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -6.624
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: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -294.840064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.840064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.840064 (E_RNA)
where:
Base-Base interactions energy: -200.281
where: short stacking energy: -80.345
Base-Backbone interact. energy: -0.057
local terms energy: -94.501740
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -293.212404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.212404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.212404 (E_RNA)
where:
Base-Base interactions energy: -207.587
where: short stacking energy: -85.491
Base-Backbone interact. energy: -0.205
local terms energy: -85.420739
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -24.416
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: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -276.773558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.773558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.773558 (E_RNA)
where:
Base-Base interactions energy: -190.499
where: short stacking energy: -69.240
Base-Backbone interact. energy: -0.003
local terms energy: -86.272280
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -220.599480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599480 (E_RNA)
where:
Base-Base interactions energy: -147.488
where: short stacking energy: -63.885
Base-Backbone interact. energy: -0.302
local terms energy: -72.810072
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -228.425438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.425438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.425438 (E_RNA)
where:
Base-Base interactions energy: -158.141
where: short stacking energy: -66.530
Base-Backbone interact. energy: -0.200
local terms energy: -70.084600
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -240.669110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.669110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.669110 (E_RNA)
where:
Base-Base interactions energy: -164.055
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.508
local terms energy: -76.106038
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -13.339
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: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -175.852626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.852626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.852626 (E_RNA)
where:
Base-Base interactions energy: -103.566
where: short stacking energy: -53.862
Base-Backbone interact. energy: -0.215
local terms energy: -72.071745
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -11.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -109.469713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.469713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.469713 (E_RNA)
where:
Base-Base interactions energy: -47.634
where: short stacking energy: -20.156
Base-Backbone interact. energy: 1.018
local terms energy: -62.853758
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -89.260556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.260556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.260556 (E_RNA)
where:
Base-Base interactions energy: -31.583
where: short stacking energy: -26.871
Base-Backbone interact. energy: -0.173
local terms energy: -57.504190
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -87.162533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.162533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.162533 (E_RNA)
where:
Base-Base interactions energy: -31.631
where: short stacking energy: -31.396
Base-Backbone interact. energy: -0.225
local terms energy: -55.306169
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -298.327321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.327321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.327321 (E_RNA)
where:
Base-Base interactions energy: -202.753
where: short stacking energy: -89.270
Base-Backbone interact. energy: -0.105
local terms energy: -95.468664
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -12.877
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: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -286.786717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.786717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.786717 (E_RNA)
where:
Base-Base interactions energy: -195.669
where: short stacking energy: -82.468
Base-Backbone interact. energy: -0.202
local terms energy: -90.915624
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -24.666
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: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -284.798316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.798316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.798316 (E_RNA)
where:
Base-Base interactions energy: -188.103
where: short stacking energy: -77.333
Base-Backbone interact. energy: -0.158
local terms energy: -96.537545
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -253.045713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.045713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.045713 (E_RNA)
where:
Base-Base interactions energy: -175.930
where: short stacking energy: -84.515
Base-Backbone interact. energy: -0.180
local terms energy: -76.935894
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -223.333461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.333461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.333461 (E_RNA)
where:
Base-Base interactions energy: -144.896
where: short stacking energy: -51.672
Base-Backbone interact. energy: -0.510
local terms energy: -77.927401
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -219.973101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.973101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.973101 (E_RNA)
where:
Base-Base interactions energy: -144.933
where: short stacking energy: -56.380
Base-Backbone interact. energy: -0.449
local terms energy: -74.591518
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -176.023792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.023792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.023792 (E_RNA)
where:
Base-Base interactions energy: -105.567
where: short stacking energy: -49.161
Base-Backbone interact. energy: 0.198
local terms energy: -70.654655
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -91.518169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.518169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.518169 (E_RNA)
where:
Base-Base interactions energy: -22.467
where: short stacking energy: -21.020
Base-Backbone interact. energy: -0.128
local terms energy: -68.922717
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -98.131914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.131914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.131914 (E_RNA)
where:
Base-Base interactions energy: -44.861
where: short stacking energy: -44.861
Base-Backbone interact. energy: -0.210
local terms energy: -53.060710
where:
bonds (distance) C4'-P energy: -4.081
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -90.801361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.801361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.801361 (E_RNA)
where:
Base-Base interactions energy: -38.299
where: short stacking energy: -25.629
Base-Backbone interact. energy: -0.116
local terms energy: -52.386251
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -11.228
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: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -295.294300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.294300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.294300 (E_RNA)
where:
Base-Base interactions energy: -201.773
where: short stacking energy: -85.922
Base-Backbone interact. energy: -0.020
local terms energy: -93.501726
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -25.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -294.154675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.154675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.154675 (E_RNA)
where:
Base-Base interactions energy: -198.528
where: short stacking energy: -82.529
Base-Backbone interact. energy: -0.078
local terms energy: -95.548111
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -277.078564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.078564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.078564 (E_RNA)
where:
Base-Base interactions energy: -190.571
where: short stacking energy: -71.751
Base-Backbone interact. energy: 0.442
local terms energy: -86.949121
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -22.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -251.426662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.426662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.426662 (E_RNA)
where:
Base-Base interactions energy: -165.991
where: short stacking energy: -67.336
Base-Backbone interact. energy: -0.247
local terms energy: -85.189292
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -17.167
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: 31
Temperature: 1.100000
Total energy: -246.083134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.083134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.083134 (E_RNA)
where:
Base-Base interactions energy: -154.301
where: short stacking energy: -70.425
Base-Backbone interact. energy: -0.023
local terms energy: -91.758531
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -206.426833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.426833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.426833 (E_RNA)
where:
Base-Base interactions energy: -137.408
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.484
local terms energy: -68.535229
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -194.091880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.091880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.091880 (E_RNA)
where:
Base-Base interactions energy: -114.875
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.255
local terms energy: -78.961067
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -14.287
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: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -101.661933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.661933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.661933 (E_RNA)
where:
Base-Base interactions energy: -50.312
where: short stacking energy: -37.286
Base-Backbone interact. energy: -0.212
local terms energy: -51.137556
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -99.061152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.061152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.061152 (E_RNA)
where:
Base-Base interactions energy: -44.588
where: short stacking energy: -28.845
Base-Backbone interact. energy: -0.545
local terms energy: -53.928236
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -91.177264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.177264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.177264 (E_RNA)
where:
Base-Base interactions energy: -31.258
where: short stacking energy: -31.258
Base-Backbone interact. energy: 0.632
local terms energy: -60.551973
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -290.365441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.365441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.365441 (E_RNA)
where:
Base-Base interactions energy: -190.929
where: short stacking energy: -87.257
Base-Backbone interact. energy: 0.485
local terms energy: -99.921096
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -28.164
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: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -290.731764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.731764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.731764 (E_RNA)
where:
Base-Base interactions energy: -194.508
where: short stacking energy: -79.176
Base-Backbone interact. energy: -0.052
local terms energy: -96.171911
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -23.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -268.759276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.759276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.759276 (E_RNA)
where:
Base-Base interactions energy: -192.286
where: short stacking energy: -69.684
Base-Backbone interact. energy: -0.300
local terms energy: -76.174019
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -267.258161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.258161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.258161 (E_RNA)
where:
Base-Base interactions energy: -174.548
where: short stacking energy: -69.102
Base-Backbone interact. energy: -0.116
local terms energy: -92.594033
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -10.396
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: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -253.366467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.366467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.366467 (E_RNA)
where:
Base-Base interactions energy: -168.862
where: short stacking energy: -74.127
Base-Backbone interact. energy: -0.231
local terms energy: -84.273502
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -180.885173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.885173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.885173 (E_RNA)
where:
Base-Base interactions energy: -107.558
where: short stacking energy: -54.529
Base-Backbone interact. energy: -0.211
local terms energy: -73.116687
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -250.937515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.937515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.937515 (E_RNA)
where:
Base-Base interactions energy: -168.667
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.161
local terms energy: -82.110029
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -107.696424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.696424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.696424 (E_RNA)
where:
Base-Base interactions energy: -50.807
where: short stacking energy: -26.607
Base-Backbone interact. energy: 0.031
local terms energy: -56.920581
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -9.536
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: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -100.829968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.829968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.829968 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -34.669
Base-Backbone interact. energy: 0.234
local terms energy: -65.246566
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -81.788876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.788876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.788876 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -26.976
Base-Backbone interact. energy: 0.478
local terms energy: -53.096613
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: 2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -293.623217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.623217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.623217 (E_RNA)
where:
Base-Base interactions energy: -202.455
where: short stacking energy: -82.526
Base-Backbone interact. energy: -0.876
local terms energy: -90.291854
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -11.001
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: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -285.153903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.153903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.153903 (E_RNA)
where:
Base-Base interactions energy: -198.061
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.071
local terms energy: -87.021544
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -269.305208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.305208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.305208 (E_RNA)
where:
Base-Base interactions energy: -173.651
where: short stacking energy: -77.314
Base-Backbone interact. energy: -0.642
local terms energy: -95.012320
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -266.136628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.136628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.136628 (E_RNA)
where:
Base-Base interactions energy: -189.897
where: short stacking energy: -59.997
Base-Backbone interact. energy: -0.019
local terms energy: -76.221262
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -21.035
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: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -248.232225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.232225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.232225 (E_RNA)
where:
Base-Base interactions energy: -168.199
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.474
local terms energy: -79.559730
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -271.626623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.626623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.626623 (E_RNA)
where:
Base-Base interactions energy: -188.471
where: short stacking energy: -69.305
Base-Backbone interact. energy: -0.184
local terms energy: -82.971844
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -13.162
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: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -178.152071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.152071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.152071 (E_RNA)
where:
Base-Base interactions energy: -118.813
where: short stacking energy: -54.267
Base-Backbone interact. energy: -0.141
local terms energy: -59.197900
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -99.985221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.985221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.985221 (E_RNA)
where:
Base-Base interactions energy: -30.476
where: short stacking energy: -29.435
Base-Backbone interact. energy: -0.404
local terms energy: -69.105666
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -92.134221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.134221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.134221 (E_RNA)
where:
Base-Base interactions energy: -38.496
where: short stacking energy: -31.846
Base-Backbone interact. energy: -0.183
local terms energy: -53.454850
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -103.829608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.829608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.829608 (E_RNA)
where:
Base-Base interactions energy: -45.037
where: short stacking energy: -29.714
Base-Backbone interact. energy: -0.674
local terms energy: -58.118710
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -4.237
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: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -289.687289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.687289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.687289 (E_RNA)
where:
Base-Base interactions energy: -200.279
where: short stacking energy: -81.007
Base-Backbone interact. energy: -0.012
local terms energy: -89.395628
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -25.820
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: 34
Temperature: 0.950000
Total energy: -289.879801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.879801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.879801 (E_RNA)
where:
Base-Base interactions energy: -196.697
where: short stacking energy: -76.762
Base-Backbone interact. energy: -0.518
local terms energy: -92.664127
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -26.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -271.079925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.079925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.079925 (E_RNA)
where:
Base-Base interactions energy: -189.694
where: short stacking energy: -77.457
Base-Backbone interact. energy: -0.149
local terms energy: -81.237344
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -22.018
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: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -247.872151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.872151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.872151 (E_RNA)
where:
Base-Base interactions energy: -162.635
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.626
local terms energy: -84.610774
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -15.425
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: 34
Temperature: 1.100000
Total energy: -250.716288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.716288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.716288 (E_RNA)
where:
Base-Base interactions energy: -171.358
where: short stacking energy: -83.126
Base-Backbone interact. energy: -0.187
local terms energy: -79.171449
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -263.471371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.471371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.471371 (E_RNA)
where:
Base-Base interactions energy: -172.817
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.091
local terms energy: -90.563610
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -219.414084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.414084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.414084 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -69.823
Base-Backbone interact. energy: -0.312
local terms energy: -78.828316
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -99.545336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.545336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.545336 (E_RNA)
where:
Base-Base interactions energy: -36.420
where: short stacking energy: -27.945
Base-Backbone interact. energy: 0.015
local terms energy: -63.140578
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -96.267082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.267082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.267082 (E_RNA)
where:
Base-Base interactions energy: -38.250
where: short stacking energy: -26.405
Base-Backbone interact. energy: -0.192
local terms energy: -57.825970
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -4.245
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -5.360
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: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -95.126500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.126500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.126500 (E_RNA)
where:
Base-Base interactions energy: -33.335
where: short stacking energy: -30.574
Base-Backbone interact. energy: -0.196
local terms energy: -61.595323
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -297.491119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.491119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.491119 (E_RNA)
where:
Base-Base interactions energy: -203.300
where: short stacking energy: -84.339
Base-Backbone interact. energy: -0.250
local terms energy: -93.940797
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -27.837
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: 35
Temperature: 0.950000
Total energy: -293.668492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.668492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.668492 (E_RNA)
where:
Base-Base interactions energy: -202.539
where: short stacking energy: -81.461
Base-Backbone interact. energy: -1.157
local terms energy: -89.972559
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -24.083
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: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -279.131929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.131929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.131929 (E_RNA)
where:
Base-Base interactions energy: -191.632
where: short stacking energy: -68.432
Base-Backbone interact. energy: -0.819
local terms energy: -86.680169
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -21.579
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: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -255.639019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.639019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.639019 (E_RNA)
where:
Base-Base interactions energy: -171.032
where: short stacking energy: -80.018
Base-Backbone interact. energy: -0.066
local terms energy: -84.540566
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.414
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: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -226.405328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.405328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.405328 (E_RNA)
where:
Base-Base interactions energy: -143.821
where: short stacking energy: -71.690
Base-Backbone interact. energy: 0.242
local terms energy: -82.826202
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -242.450461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.450461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.450461 (E_RNA)
where:
Base-Base interactions energy: -161.910
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.183
local terms energy: -80.357397
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -219.175703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.175703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.175703 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -63.650
Base-Backbone interact. energy: 1.567
local terms energy: -76.857501
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -7.896
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: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -98.203679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.203679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.203679 (E_RNA)
where:
Base-Base interactions energy: -34.984
where: short stacking energy: -30.325
Base-Backbone interact. energy: -0.023
local terms energy: -63.196084
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -95.878348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.878348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.878348 (E_RNA)
where:
Base-Base interactions energy: -43.806
where: short stacking energy: -29.115
Base-Backbone interact. energy: 2.381
local terms energy: -54.453369
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -92.716704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.716704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.716704 (E_RNA)
where:
Base-Base interactions energy: -34.462
where: short stacking energy: -31.692
Base-Backbone interact. energy: -0.230
local terms energy: -58.024632
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -295.341931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.341931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.341931 (E_RNA)
where:
Base-Base interactions energy: -203.959
where: short stacking energy: -87.196
Base-Backbone interact. energy: -0.098
local terms energy: -91.285622
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -279.629407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.629407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.629407 (E_RNA)
where:
Base-Base interactions energy: -182.409
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.198
local terms energy: -97.022166
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -286.959343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.959343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.959343 (E_RNA)
where:
Base-Base interactions energy: -184.344
where: short stacking energy: -85.038
Base-Backbone interact. energy: -0.012
local terms energy: -102.603638
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -30.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -276.025560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.025560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.025560 (E_RNA)
where:
Base-Base interactions energy: -190.855
where: short stacking energy: -69.853
Base-Backbone interact. energy: -0.148
local terms energy: -85.022429
where:
bonds (distance) C4'-P energy: -19.814
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -10.437
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: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -241.286645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.286645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.286645 (E_RNA)
where:
Base-Base interactions energy: -154.049
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.198
local terms energy: -87.039467
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -20.606
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: 36
Temperature: 1.150000
Total energy: -230.218989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.218989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.218989 (E_RNA)
where:
Base-Base interactions energy: -144.467
where: short stacking energy: -67.518
Base-Backbone interact. energy: 0.037
local terms energy: -85.789061
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -201.409058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.409058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.409058 (E_RNA)
where:
Base-Base interactions energy: -121.311
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.110
local terms energy: -79.988045
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -108.827625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.827625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.827625 (E_RNA)
where:
Base-Base interactions energy: -44.596
where: short stacking energy: -34.047
Base-Backbone interact. energy: -0.225
local terms energy: -64.006475
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -3.862
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: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -99.403421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403421 (E_RNA)
where:
Base-Base interactions energy: -30.702
where: short stacking energy: -30.702
Base-Backbone interact. energy: -0.012
local terms energy: -68.689819
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -6.096
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: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -88.652201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.652201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.652201 (E_RNA)
where:
Base-Base interactions energy: -28.488
where: short stacking energy: -28.488
Base-Backbone interact. energy: -0.776
local terms energy: -59.387863
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -287.260317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.260317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.260317 (E_RNA)
where:
Base-Base interactions energy: -194.404
where: short stacking energy: -83.081
Base-Backbone interact. energy: -0.210
local terms energy: -92.646159
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -23.925
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: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -281.506706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.506706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.506706 (E_RNA)
where:
Base-Base interactions energy: -186.476
where: short stacking energy: -87.447
Base-Backbone interact. energy: -0.003
local terms energy: -95.027858
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -25.937
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: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -292.047736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.047736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.047736 (E_RNA)
where:
Base-Base interactions energy: -203.587
where: short stacking energy: -79.726
Base-Backbone interact. energy: -0.464
local terms energy: -87.996959
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -275.558343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.558343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.558343 (E_RNA)
where:
Base-Base interactions energy: -183.900
where: short stacking energy: -75.422
Base-Backbone interact. energy: -0.087
local terms energy: -91.571331
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -245.131576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.131576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.131576 (E_RNA)
where:
Base-Base interactions energy: -161.575
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.093
local terms energy: -83.464299
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -15.317
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: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -233.887520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.887520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.887520 (E_RNA)
where:
Base-Base interactions energy: -140.836
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.058
local terms energy: -92.993940
where:
bonds (distance) C4'-P energy: -19.783
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -10.281
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: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -212.251543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.251543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.251543 (E_RNA)
where:
Base-Base interactions energy: -135.387
where: short stacking energy: -64.231
Base-Backbone interact. energy: 0.549
local terms energy: -77.412718
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -16.540
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: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -103.609703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.609703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.609703 (E_RNA)
where:
Base-Base interactions energy: -43.772
where: short stacking energy: -33.658
Base-Backbone interact. energy: -0.212
local terms energy: -59.626118
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -95.819189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.819189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.819189 (E_RNA)
where:
Base-Base interactions energy: -33.408
where: short stacking energy: -31.636
Base-Backbone interact. energy: 0.343
local terms energy: -62.753783
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -82.871833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.871833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.871833 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -20.329
Base-Backbone interact. energy: -0.772
local terms energy: -49.511261
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -295.136328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.136328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.136328 (E_RNA)
where:
Base-Base interactions energy: -198.601
where: short stacking energy: -90.390
Base-Backbone interact. energy: -0.002
local terms energy: -96.533977
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -26.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -287.285913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.285913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.285913 (E_RNA)
where:
Base-Base interactions energy: -187.428
where: short stacking energy: -85.618
Base-Backbone interact. energy: -0.001
local terms energy: -99.857496
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -30.111
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: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -280.682168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.682168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.682168 (E_RNA)
where:
Base-Base interactions energy: -190.514
where: short stacking energy: -79.068
Base-Backbone interact. energy: 1.056
local terms energy: -91.224925
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -24.617
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: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -288.657737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.657737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.657737 (E_RNA)
where:
Base-Base interactions energy: -191.162
where: short stacking energy: -79.644
Base-Backbone interact. energy: -0.129
local terms energy: -97.366438
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -25.383
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: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -251.559218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.559218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.559218 (E_RNA)
where:
Base-Base interactions energy: -173.685
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.045
local terms energy: -77.828687
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -17.786
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: 38
Temperature: 1.150000
Total energy: -250.768994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.768994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.768994 (E_RNA)
where:
Base-Base interactions energy: -171.718
where: short stacking energy: -73.370
Base-Backbone interact. energy: 0.252
local terms energy: -79.302827
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -178.794664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.794664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.794664 (E_RNA)
where:
Base-Base interactions energy: -109.742
where: short stacking energy: -49.184
Base-Backbone interact. energy: -0.095
local terms energy: -68.957836
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -93.448947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.448947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.448947 (E_RNA)
where:
Base-Base interactions energy: -33.547
where: short stacking energy: -14.919
Base-Backbone interact. energy: 2.408
local terms energy: -62.309435
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: 1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -114.860395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.860395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.860395 (E_RNA)
where:
Base-Base interactions energy: -59.278
where: short stacking energy: -27.764
Base-Backbone interact. energy: -0.406
local terms energy: -55.175969
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -89.933926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.933926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.933926 (E_RNA)
where:
Base-Base interactions energy: -38.962
where: short stacking energy: -22.648
Base-Backbone interact. energy: -0.259
local terms energy: -50.713039
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: 0.219
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: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -293.556460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.556460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.556460 (E_RNA)
where:
Base-Base interactions energy: -191.220
where: short stacking energy: -87.254
Base-Backbone interact. energy: -0.032
local terms energy: -102.303788
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -23.200
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -289.331353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.331353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.331353 (E_RNA)
where:
Base-Base interactions energy: -192.919
where: short stacking energy: -85.803
Base-Backbone interact. energy: -0.109
local terms energy: -96.302896
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -27.557
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: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -279.680321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.680321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.680321 (E_RNA)
where:
Base-Base interactions energy: -197.092
where: short stacking energy: -76.092
Base-Backbone interact. energy: -0.220
local terms energy: -82.368586
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -249.967567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.967567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.967567 (E_RNA)
where:
Base-Base interactions energy: -169.392
where: short stacking energy: -66.542
Base-Backbone interact. energy: -0.304
local terms energy: -80.271435
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -13.814
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: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -264.780658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.780658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.780658 (E_RNA)
where:
Base-Base interactions energy: -175.653
where: short stacking energy: -81.137
Base-Backbone interact. energy: -0.129
local terms energy: -88.998386
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -25.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -261.683058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.683058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.683058 (E_RNA)
where:
Base-Base interactions energy: -171.899
where: short stacking energy: -75.653
Base-Backbone interact. energy: -0.086
local terms energy: -89.697344
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -203.660636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.660636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.660636 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -55.408
Base-Backbone interact. energy: -0.141
local terms energy: -78.910291
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -13.290
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: 39
Temperature: 1.250000
Total energy: -101.874488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.874488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.874488 (E_RNA)
where:
Base-Base interactions energy: -51.601
where: short stacking energy: -30.490
Base-Backbone interact. energy: -1.416
local terms energy: -48.857941
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -97.201851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.201851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.201851 (E_RNA)
where:
Base-Base interactions energy: -34.097
where: short stacking energy: -29.254
Base-Backbone interact. energy: -0.555
local terms energy: -62.549868
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -11.218
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: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -81.303881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.303881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.303881 (E_RNA)
where:
Base-Base interactions energy: -23.743
where: short stacking energy: -20.951
Base-Backbone interact. energy: -0.654
local terms energy: -56.907172
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -2.496
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: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -297.710658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.710658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.710658 (E_RNA)
where:
Base-Base interactions energy: -206.229
where: short stacking energy: -87.258
Base-Backbone interact. energy: -0.003
local terms energy: -91.479544
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -14.478
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: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -299.200453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.200453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.200453 (E_RNA)
where:
Base-Base interactions energy: -204.624
where: short stacking energy: -83.264
Base-Backbone interact. energy: -0.091
local terms energy: -94.485655
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -25.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -282.256894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.256894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.256894 (E_RNA)
where:
Base-Base interactions energy: -192.633
where: short stacking energy: -75.030
Base-Backbone interact. energy: 0.002
local terms energy: -89.625825
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -23.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -260.533160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.533160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.533160 (E_RNA)
where:
Base-Base interactions energy: -172.422
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.326
local terms energy: -87.784797
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -22.259
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: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -247.090840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.090840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.090840 (E_RNA)
where:
Base-Base interactions energy: -166.468
where: short stacking energy: -75.670
Base-Backbone interact. energy: -0.143
local terms energy: -80.479272
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -271.848065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.848065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.848065 (E_RNA)
where:
Base-Base interactions energy: -180.813
where: short stacking energy: -84.082
Base-Backbone interact. energy: -0.005
local terms energy: -91.029427
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -26.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -207.233450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.233450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.233450 (E_RNA)
where:
Base-Base interactions energy: -124.800
where: short stacking energy: -50.692
Base-Backbone interact. energy: -0.238
local terms energy: -82.194974
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -100.752833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.752833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.752833 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.117
local terms energy: -59.343064
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -95.244270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.244270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.244270 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -32.447
Base-Backbone interact. energy: -0.212
local terms energy: -62.584437
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -91.168848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168848 (E_RNA)
where:
Base-Base interactions energy: -36.069
where: short stacking energy: -27.670
Base-Backbone interact. energy: -0.275
local terms energy: -54.824876
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -295.470281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.470281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.470281 (E_RNA)
where:
Base-Base interactions energy: -193.969
where: short stacking energy: -78.918
Base-Backbone interact. energy: -0.169
local terms energy: -101.332564
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -285.202025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.202025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.202025 (E_RNA)
where:
Base-Base interactions energy: -190.051
where: short stacking energy: -69.031
Base-Backbone interact. energy: 0.113
local terms energy: -95.263634
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -26.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -276.728208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.728208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.728208 (E_RNA)
where:
Base-Base interactions energy: -191.239
where: short stacking energy: -78.829
Base-Backbone interact. energy: -0.497
local terms energy: -84.992470
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -262.541225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.541225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.541225 (E_RNA)
where:
Base-Base interactions energy: -177.665
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.086
local terms energy: -84.790068
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -17.628
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: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -275.913210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.913210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.913210 (E_RNA)
where:
Base-Base interactions energy: -197.669
where: short stacking energy: -78.310
Base-Backbone interact. energy: -0.217
local terms energy: -78.026393
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -21.986
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: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -222.970888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.970888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.970888 (E_RNA)
where:
Base-Base interactions energy: -136.971
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.002
local terms energy: -85.998110
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -253.702487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.702487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.702487 (E_RNA)
where:
Base-Base interactions energy: -166.940
where: short stacking energy: -74.480
Base-Backbone interact. energy: -0.049
local terms energy: -86.713837
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -11.534
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: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -101.993780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.993780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.993780 (E_RNA)
where:
Base-Base interactions energy: -44.381
where: short stacking energy: -41.462
Base-Backbone interact. energy: -0.024
local terms energy: -57.588904
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -12.818
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: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -94.401189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.401189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.401189 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -32.946
Base-Backbone interact. energy: -0.059
local terms energy: -59.315084
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -94.084840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.084840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.084840 (E_RNA)
where:
Base-Base interactions energy: -39.778
where: short stacking energy: -29.262
Base-Backbone interact. energy: -0.283
local terms energy: -54.023034
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -1.910
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: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -302.008858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.008858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.008858 (E_RNA)
where:
Base-Base interactions energy: -205.317
where: short stacking energy: -93.362
Base-Backbone interact. energy: -0.104
local terms energy: -96.588031
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -29.015
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: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -285.190303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.190303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.190303 (E_RNA)
where:
Base-Base interactions energy: -196.748
where: short stacking energy: -85.046
Base-Backbone interact. energy: -0.036
local terms energy: -88.406408
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -287.504197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.504197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.504197 (E_RNA)
where:
Base-Base interactions energy: -191.830
where: short stacking energy: -76.802
Base-Backbone interact. energy: -0.899
local terms energy: -94.775351
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -277.178880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.178880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.178880 (E_RNA)
where:
Base-Base interactions energy: -185.065
where: short stacking energy: -75.152
Base-Backbone interact. energy: -0.057
local terms energy: -92.057354
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -211.687307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.687307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.687307 (E_RNA)
where:
Base-Base interactions energy: -139.152
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.053
local terms energy: -72.482736
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -248.899283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.899283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.899283 (E_RNA)
where:
Base-Base interactions energy: -173.126
where: short stacking energy: -62.635
Base-Backbone interact. energy: -0.350
local terms energy: -75.422894
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -11.593
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: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -251.668694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.668694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.668694 (E_RNA)
where:
Base-Base interactions energy: -170.648
where: short stacking energy: -72.595
Base-Backbone interact. energy: -0.209
local terms energy: -80.811135
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -97.545339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.545339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.545339 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -33.315
Base-Backbone interact. energy: -0.178
local terms energy: -64.052269
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -111.293412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.293412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.293412 (E_RNA)
where:
Base-Base interactions energy: -55.472
where: short stacking energy: -31.826
Base-Backbone interact. energy: 1.133
local terms energy: -56.954406
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -86.774371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.774371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.774371 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -30.630
Base-Backbone interact. energy: -0.091
local terms energy: -49.652872
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -1.142
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: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -292.815699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.815699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.815699 (E_RNA)
where:
Base-Base interactions energy: -200.644
where: short stacking energy: -81.763
Base-Backbone interact. energy: 0.314
local terms energy: -92.485303
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -14.007
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: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -283.225892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.225892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.225892 (E_RNA)
where:
Base-Base interactions energy: -195.083
where: short stacking energy: -77.607
Base-Backbone interact. energy: 0.715
local terms energy: -88.857656
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -10.448
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: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -288.163644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.163644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.163644 (E_RNA)
where:
Base-Base interactions energy: -199.860
where: short stacking energy: -83.168
Base-Backbone interact. energy: -0.097
local terms energy: -88.207319
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -24.134
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: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -239.472504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.472504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.472504 (E_RNA)
where:
Base-Base interactions energy: -151.046
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.054
local terms energy: -88.372704
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -214.035912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.035912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.035912 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.160
local terms energy: -84.242397
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -255.640614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.640614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.640614 (E_RNA)
where:
Base-Base interactions energy: -173.341
where: short stacking energy: -80.127
Base-Backbone interact. energy: -0.069
local terms energy: -82.230735
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -9.053
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: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -203.012706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.012706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.012706 (E_RNA)
where:
Base-Base interactions energy: -129.085
where: short stacking energy: -53.353
Base-Backbone interact. energy: -0.089
local terms energy: -73.837981
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -16.501
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: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -100.184468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.184468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.184468 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -35.047
Base-Backbone interact. energy: -0.051
local terms energy: -65.086711
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -110.144557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.144557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.144557 (E_RNA)
where:
Base-Base interactions energy: -46.353
where: short stacking energy: -39.897
Base-Backbone interact. energy: -0.031
local terms energy: -63.759941
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -9.139
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: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -92.199574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.199574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.199574 (E_RNA)
where:
Base-Base interactions energy: -31.879
where: short stacking energy: -31.593
Base-Backbone interact. energy: -0.395
local terms energy: -59.925798
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -3.329
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: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -296.642864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.642864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.642864 (E_RNA)
where:
Base-Base interactions energy: -203.868
where: short stacking energy: -81.021
Base-Backbone interact. energy: -0.228
local terms energy: -92.547206
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -12.259
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: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -293.553156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.553156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.553156 (E_RNA)
where:
Base-Base interactions energy: -196.296
where: short stacking energy: -84.296
Base-Backbone interact. energy: -0.036
local terms energy: -97.221512
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -26.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -265.351933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.351933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.351933 (E_RNA)
where:
Base-Base interactions energy: -175.484
where: short stacking energy: -79.036
Base-Backbone interact. energy: -0.835
local terms energy: -89.033187
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -274.681120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.681120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.681120 (E_RNA)
where:
Base-Base interactions energy: -191.832
where: short stacking energy: -82.512
Base-Backbone interact. energy: -0.194
local terms energy: -82.654423
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -242.972250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.972250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.972250 (E_RNA)
where:
Base-Base interactions energy: -155.281
where: short stacking energy: -75.440
Base-Backbone interact. energy: -0.067
local terms energy: -87.625047
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -214.573201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.573201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.573201 (E_RNA)
where:
Base-Base interactions energy: -135.832
where: short stacking energy: -58.465
Base-Backbone interact. energy: -0.233
local terms energy: -78.508755
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -204.359350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.359350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.359350 (E_RNA)
where:
Base-Base interactions energy: -139.538
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.087
local terms energy: -64.734683
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -12.387
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: 44
Temperature: 1.250000
Total energy: -93.025650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.025650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.025650 (E_RNA)
where:
Base-Base interactions energy: -36.711
where: short stacking energy: -21.089
Base-Backbone interact. energy: -0.513
local terms energy: -55.801392
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -3.577
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: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -87.733537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.733537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.733537 (E_RNA)
where:
Base-Base interactions energy: -28.969
where: short stacking energy: -27.041
Base-Backbone interact. energy: -0.120
local terms energy: -58.644434
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -95.338746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.338746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.338746 (E_RNA)
where:
Base-Base interactions energy: -33.927
where: short stacking energy: -32.897
Base-Backbone interact. energy: -0.247
local terms energy: -61.165527
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -292.841303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.841303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.841303 (E_RNA)
where:
Base-Base interactions energy: -202.758
where: short stacking energy: -78.617
Base-Backbone interact. energy: 0.153
local terms energy: -90.236793
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -24.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -285.966176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.966176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.966176 (E_RNA)
where:
Base-Base interactions energy: -191.586
where: short stacking energy: -77.691
Base-Backbone interact. energy: -0.086
local terms energy: -94.294013
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -25.135
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: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -260.875870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.875870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.875870 (E_RNA)
where:
Base-Base interactions energy: -172.106
where: short stacking energy: -71.805
Base-Backbone interact. energy: -0.096
local terms energy: -88.673437
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -269.551917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.551917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.551917 (E_RNA)
where:
Base-Base interactions energy: -192.551
where: short stacking energy: -78.705
Base-Backbone interact. energy: -0.096
local terms energy: -76.904516
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -257.105338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.105338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.105338 (E_RNA)
where:
Base-Base interactions energy: -163.352
where: short stacking energy: -72.031
Base-Backbone interact. energy: -0.267
local terms energy: -93.485720
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -220.397583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.397583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.397583 (E_RNA)
where:
Base-Base interactions energy: -140.661
where: short stacking energy: -61.505
Base-Backbone interact. energy: -0.215
local terms energy: -79.521520
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -201.060756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.060756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.060756 (E_RNA)
where:
Base-Base interactions energy: -138.393
where: short stacking energy: -47.411
Base-Backbone interact. energy: -0.384
local terms energy: -62.283783
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.525
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: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -109.721689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.721689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.721689 (E_RNA)
where:
Base-Base interactions energy: -48.902
where: short stacking energy: -25.760
Base-Backbone interact. energy: -0.129
local terms energy: -60.691072
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -105.728489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.728489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.728489 (E_RNA)
where:
Base-Base interactions energy: -49.626
where: short stacking energy: -37.746
Base-Backbone interact. energy: -0.378
local terms energy: -55.724852
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -90.467450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.467450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.467450 (E_RNA)
where:
Base-Base interactions energy: -38.935
where: short stacking energy: -17.209
Base-Backbone interact. energy: 0.820
local terms energy: -52.352542
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -9.539
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: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -301.098565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.098565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.098565 (E_RNA)
where:
Base-Base interactions energy: -206.240
where: short stacking energy: -89.285
Base-Backbone interact. energy: -0.073
local terms energy: -94.785173
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -26.788
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: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -289.876614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.876614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.876614 (E_RNA)
where:
Base-Base interactions energy: -201.798
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.205
local terms energy: -87.873141
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -11.050
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: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -258.037096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.037096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.037096 (E_RNA)
where:
Base-Base interactions energy: -169.882
where: short stacking energy: -80.987
Base-Backbone interact. energy: -0.010
local terms energy: -88.144680
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -24.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -251.588216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.588216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.588216 (E_RNA)
where:
Base-Base interactions energy: -163.830
where: short stacking energy: -72.648
Base-Backbone interact. energy: -0.245
local terms energy: -87.512825
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -17.947
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: 46
Temperature: 1.100000
Total energy: -266.481819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.481819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.481819 (E_RNA)
where:
Base-Base interactions energy: -183.500
where: short stacking energy: -79.550
Base-Backbone interact. energy: -0.311
local terms energy: -82.670926
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -219.184653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.184653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.184653 (E_RNA)
where:
Base-Base interactions energy: -130.700
where: short stacking energy: -62.407
Base-Backbone interact. energy: -0.140
local terms energy: -88.344276
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -186.084808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.084808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.084808 (E_RNA)
where:
Base-Base interactions energy: -115.239
where: short stacking energy: -46.659
Base-Backbone interact. energy: -0.345
local terms energy: -70.500444
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -7.768
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: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -107.096843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.096843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.096843 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -42.444
Base-Backbone interact. energy: -0.164
local terms energy: -64.488518
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -144.526083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.526083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.526083 (E_RNA)
where:
Base-Base interactions energy: -73.689
where: short stacking energy: -40.244
Base-Backbone interact. energy: -0.324
local terms energy: -70.513162
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -90.350689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.350689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.350689 (E_RNA)
where:
Base-Base interactions energy: -38.624
where: short stacking energy: -26.603
Base-Backbone interact. energy: -0.586
local terms energy: -51.141348
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -291.404073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.404073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.404073 (E_RNA)
where:
Base-Base interactions energy: -204.484
where: short stacking energy: -84.016
Base-Backbone interact. energy: -0.366
local terms energy: -86.553731
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -286.238795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.238795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.238795 (E_RNA)
where:
Base-Base interactions energy: -196.507
where: short stacking energy: -88.929
Base-Backbone interact. energy: -0.693
local terms energy: -89.038972
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -282.177760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.177760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.177760 (E_RNA)
where:
Base-Base interactions energy: -194.907
where: short stacking energy: -76.039
Base-Backbone interact. energy: -0.169
local terms energy: -87.101973
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -23.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -281.412189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.412189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.412189 (E_RNA)
where:
Base-Base interactions energy: -189.156
where: short stacking energy: -73.499
Base-Backbone interact. energy: -0.127
local terms energy: -92.129162
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -23.194
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: 47
Temperature: 1.100000
Total energy: -241.068941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.068941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.068941 (E_RNA)
where:
Base-Base interactions energy: -153.958
where: short stacking energy: -64.565
Base-Backbone interact. energy: -0.493
local terms energy: -86.617376
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -217.712926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.712926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.712926 (E_RNA)
where:
Base-Base interactions energy: -141.265
where: short stacking energy: -66.640
Base-Backbone interact. energy: -0.007
local terms energy: -76.440248
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -13.057
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: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -176.730165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.730165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.730165 (E_RNA)
where:
Base-Base interactions energy: -107.648
where: short stacking energy: -44.580
Base-Backbone interact. energy: -0.181
local terms energy: -68.900962
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -10.247
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: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -172.530252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.530252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.530252 (E_RNA)
where:
Base-Base interactions energy: -113.526
where: short stacking energy: -58.160
Base-Backbone interact. energy: 0.134
local terms energy: -59.138963
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -101.738118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.738118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.738118 (E_RNA)
where:
Base-Base interactions energy: -36.566
where: short stacking energy: -36.566
Base-Backbone interact. energy: -0.199
local terms energy: -64.973796
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -93.335667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.335667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.335667 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -14.219
Base-Backbone interact. energy: -0.191
local terms energy: -59.061360
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: 3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -290.649317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.649317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.649317 (E_RNA)
where:
Base-Base interactions energy: -192.119
where: short stacking energy: -84.696
Base-Backbone interact. energy: -0.002
local terms energy: -98.527513
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -13.413
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: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -285.740301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.740301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.740301 (E_RNA)
where:
Base-Base interactions energy: -195.726
where: short stacking energy: -83.699
Base-Backbone interact. energy: -0.728
local terms energy: -89.285629
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -286.879384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.879384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.879384 (E_RNA)
where:
Base-Base interactions energy: -202.675
where: short stacking energy: -80.522
Base-Backbone interact. energy: -0.068
local terms energy: -84.136517
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -276.161606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.161606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.161606 (E_RNA)
where:
Base-Base interactions energy: -189.750
where: short stacking energy: -72.805
Base-Backbone interact. energy: 0.014
local terms energy: -86.426168
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -22.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -256.643861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.643861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.643861 (E_RNA)
where:
Base-Base interactions energy: -172.821
where: short stacking energy: -77.819
Base-Backbone interact. energy: -0.151
local terms energy: -83.671109
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -20.767
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: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -213.980753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.980753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.980753 (E_RNA)
where:
Base-Base interactions energy: -139.435
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.729
local terms energy: -73.816430
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -203.071033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.071033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.071033 (E_RNA)
where:
Base-Base interactions energy: -126.980
where: short stacking energy: -55.110
Base-Backbone interact. energy: -0.042
local terms energy: -76.049181
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -139.991708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.991708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.991708 (E_RNA)
where:
Base-Base interactions energy: -75.942
where: short stacking energy: -32.141
Base-Backbone interact. energy: -0.292
local terms energy: -63.757380
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -90.818676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.818676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.818676 (E_RNA)
where:
Base-Base interactions energy: -36.084
where: short stacking energy: -28.350
Base-Backbone interact. energy: -0.614
local terms energy: -54.120197
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -10.245
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: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -88.746107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.746107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.746107 (E_RNA)
where:
Base-Base interactions energy: -30.652
where: short stacking energy: -28.057
Base-Backbone interact. energy: -0.438
local terms energy: -57.656578
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -298.262427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.262427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.262427 (E_RNA)
where:
Base-Base interactions energy: -209.449
where: short stacking energy: -89.090
Base-Backbone interact. energy: -0.124
local terms energy: -88.689762
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -285.343554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.343554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.343554 (E_RNA)
where:
Base-Base interactions energy: -192.659
where: short stacking energy: -82.754
Base-Backbone interact. energy: -0.075
local terms energy: -92.609376
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -25.436
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: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -283.427656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.427656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.427656 (E_RNA)
where:
Base-Base interactions energy: -189.733
where: short stacking energy: -82.056
Base-Backbone interact. energy: -0.022
local terms energy: -93.672026
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -271.440608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.440608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.440608 (E_RNA)
where:
Base-Base interactions energy: -183.402
where: short stacking energy: -72.226
Base-Backbone interact. energy: -0.876
local terms energy: -87.162950
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -24.841
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -248.861353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.861353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.861353 (E_RNA)
where:
Base-Base interactions energy: -162.214
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.028
local terms energy: -86.619205
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -222.027699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.027699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.027699 (E_RNA)
where:
Base-Base interactions energy: -140.410
where: short stacking energy: -66.841
Base-Backbone interact. energy: 0.245
local terms energy: -81.862951
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -213.934157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.934157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.934157 (E_RNA)
where:
Base-Base interactions energy: -130.932
where: short stacking energy: -60.382
Base-Backbone interact. energy: -0.006
local terms energy: -82.995444
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -17.821
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: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -166.768409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.768409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.768409 (E_RNA)
where:
Base-Base interactions energy: -101.322
where: short stacking energy: -51.655
Base-Backbone interact. energy: -0.565
local terms energy: -64.882047
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -88.629899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.629899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.629899 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -32.714
Base-Backbone interact. energy: 1.017
local terms energy: -46.898640
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -0.713
tors. eta vs tors. theta energy: -6.767
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: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -90.663911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.663911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.663911 (E_RNA)
where:
Base-Base interactions energy: -26.579
where: short stacking energy: -25.691
Base-Backbone interact. energy: -1.344
local terms energy: -62.740796
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -291.680589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.680589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.680589 (E_RNA)
where:
Base-Base interactions energy: -190.193
where: short stacking energy: -87.912
Base-Backbone interact. energy: -0.003
local terms energy: -101.484028
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -27.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -289.861368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.861368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.861368 (E_RNA)
where:
Base-Base interactions energy: -201.008
where: short stacking energy: -75.253
Base-Backbone interact. energy: 0.315
local terms energy: -89.168218
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -23.956
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: 50
Temperature: 1.000000
Total energy: -286.470801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.470801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.470801 (E_RNA)
where:
Base-Base interactions energy: -195.853
where: short stacking energy: -85.351
Base-Backbone interact. energy: 0.498
local terms energy: -91.115480
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -280.391620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.391620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.391620 (E_RNA)
where:
Base-Base interactions energy: -195.445
where: short stacking energy: -83.297
Base-Backbone interact. energy: -0.126
local terms energy: -84.820995
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -269.414730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.414730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.414730 (E_RNA)
where:
Base-Base interactions energy: -177.737
where: short stacking energy: -75.768
Base-Backbone interact. energy: -0.003
local terms energy: -91.674299
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -22.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -212.047708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.047708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.047708 (E_RNA)
where:
Base-Base interactions energy: -142.096
where: short stacking energy: -64.386
Base-Backbone interact. energy: 3.756
local terms energy: -73.708154
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -208.440720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.440720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.440720 (E_RNA)
where:
Base-Base interactions energy: -136.372
where: short stacking energy: -58.808
Base-Backbone interact. energy: -0.016
local terms energy: -72.052331
where:
bonds (distance) C4'-P energy: -8.585
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -191.556114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.556114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.556114 (E_RNA)
where:
Base-Base interactions energy: -131.677
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.011
local terms energy: -59.867789
where:
bonds (distance) C4'-P energy: -6.677
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -93.493918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.493918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.493918 (E_RNA)
where:
Base-Base interactions energy: -42.324
where: short stacking energy: -25.865
Base-Backbone interact. energy: 0.023
local terms energy: -51.193242
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -97.620655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.620655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.620655 (E_RNA)
where:
Base-Base interactions energy: -37.878
where: short stacking energy: -37.878
Base-Backbone interact. energy: 0.076
local terms energy: -59.819035
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -10.071
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: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -293.230850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.230850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.230850 (E_RNA)
where:
Base-Base interactions energy: -195.256
where: short stacking energy: -83.383
Base-Backbone interact. energy: -0.125
local terms energy: -97.849978
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -289.028625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.028625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.028625 (E_RNA)
where:
Base-Base interactions energy: -202.827
where: short stacking energy: -78.955
Base-Backbone interact. energy: -0.222
local terms energy: -85.979656
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -23.762
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: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -285.350720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.350720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.350720 (E_RNA)
where:
Base-Base interactions energy: -189.176
where: short stacking energy: -78.613
Base-Backbone interact. energy: -0.176
local terms energy: -95.999034
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -24.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -279.407278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.407278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.407278 (E_RNA)
where:
Base-Base interactions energy: -190.302
where: short stacking energy: -79.339
Base-Backbone interact. energy: -0.072
local terms energy: -89.033148
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -16.081
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: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -247.042901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.042901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.042901 (E_RNA)
where:
Base-Base interactions energy: -155.658
where: short stacking energy: -75.144
Base-Backbone interact. energy: -0.004
local terms energy: -91.380251
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -23.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -225.941511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.941511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.941511 (E_RNA)
where:
Base-Base interactions energy: -147.240
where: short stacking energy: -65.319
Base-Backbone interact. energy: -0.082
local terms energy: -78.619512
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -195.560822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.560822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.560822 (E_RNA)
where:
Base-Base interactions energy: -131.278
where: short stacking energy: -55.416
Base-Backbone interact. energy: -0.131
local terms energy: -64.151587
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -221.150038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.150038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.150038 (E_RNA)
where:
Base-Base interactions energy: -143.051
where: short stacking energy: -64.453
Base-Backbone interact. energy: -0.057
local terms energy: -78.041699
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -14.440
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: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -95.799405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.799405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.799405 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -36.537
Base-Backbone interact. energy: 0.176
local terms energy: -56.088328
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -2.321
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -106.014457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.014457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.014457 (E_RNA)
where:
Base-Base interactions energy: -48.277
where: short stacking energy: -32.163
Base-Backbone interact. energy: -0.155
local terms energy: -57.582853
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -292.153561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.153561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.153561 (E_RNA)
where:
Base-Base interactions energy: -212.734
where: short stacking energy: -82.423
Base-Backbone interact. energy: 0.562
local terms energy: -79.981613
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -22.785
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: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -279.263586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.263586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.263586 (E_RNA)
where:
Base-Base interactions energy: -191.664
where: short stacking energy: -85.158
Base-Backbone interact. energy: -0.204
local terms energy: -87.395852
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -26.194
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: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -284.754068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.754068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.754068 (E_RNA)
where:
Base-Base interactions energy: -200.275
where: short stacking energy: -78.695
Base-Backbone interact. energy: -0.005
local terms energy: -84.474098
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -23.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -280.578835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.578835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.578835 (E_RNA)
where:
Base-Base interactions energy: -185.734
where: short stacking energy: -79.548
Base-Backbone interact. energy: -0.084
local terms energy: -94.761002
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -259.022476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.022476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.022476 (E_RNA)
where:
Base-Base interactions energy: -181.347
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.049
local terms energy: -77.626820
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -221.214842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.214842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.214842 (E_RNA)
where:
Base-Base interactions energy: -154.113
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.108
local terms energy: -66.994379
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -11.880
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: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -221.266796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.266796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.266796 (E_RNA)
where:
Base-Base interactions energy: -143.498
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.247
local terms energy: -77.521307
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -192.950444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.950444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.950444 (E_RNA)
where:
Base-Base interactions energy: -126.776
where: short stacking energy: -58.078
Base-Backbone interact. energy: -1.008
local terms energy: -65.166039
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -95.702691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.702691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.702691 (E_RNA)
where:
Base-Base interactions energy: -39.158
where: short stacking energy: -33.897
Base-Backbone interact. energy: 1.790
local terms energy: -58.334908
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -3.237
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -87.381987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.381987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.381987 (E_RNA)
where:
Base-Base interactions energy: -33.912
where: short stacking energy: -18.359
Base-Backbone interact. energy: -0.226
local terms energy: -53.244437
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: 1.231
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: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -287.426977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.426977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.426977 (E_RNA)
where:
Base-Base interactions energy: -193.554
where: short stacking energy: -79.835
Base-Backbone interact. energy: -0.105
local terms energy: -93.767367
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -12.794
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: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -284.878929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.878929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.878929 (E_RNA)
where:
Base-Base interactions energy: -190.356
where: short stacking energy: -82.375
Base-Backbone interact. energy: 0.134
local terms energy: -94.657055
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -24.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -278.869209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.869209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.869209 (E_RNA)
where:
Base-Base interactions energy: -185.233
where: short stacking energy: -87.068
Base-Backbone interact. energy: -0.070
local terms energy: -93.565765
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -25.153
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: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -273.831380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.831380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.831380 (E_RNA)
where:
Base-Base interactions energy: -188.530
where: short stacking energy: -82.676
Base-Backbone interact. energy: -0.198
local terms energy: -85.102816
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -23.370
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: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -283.779149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.779149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.779149 (E_RNA)
where:
Base-Base interactions energy: -201.082
where: short stacking energy: -86.686
Base-Backbone interact. energy: -0.435
local terms energy: -82.262767
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -13.272
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: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -253.852360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.852360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.852360 (E_RNA)
where:
Base-Base interactions energy: -169.830
where: short stacking energy: -73.751
Base-Backbone interact. energy: -0.315
local terms energy: -83.706985
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -15.155
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: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -209.053724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.053724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.053724 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -59.309
Base-Backbone interact. energy: -0.203
local terms energy: -67.896159
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -196.322792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.322792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.322792 (E_RNA)
where:
Base-Base interactions energy: -129.950
where: short stacking energy: -53.566
Base-Backbone interact. energy: -0.055
local terms energy: -66.317311
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -94.253049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.253049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.253049 (E_RNA)
where:
Base-Base interactions energy: -37.689
where: short stacking energy: -34.806
Base-Backbone interact. energy: 1.174
local terms energy: -57.737641
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -3.440
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: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -96.398505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.398505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.398505 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -20.398
Base-Backbone interact. energy: -0.219
local terms energy: -54.685041
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: 2.205
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: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -298.223671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.223671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.223671 (E_RNA)
where:
Base-Base interactions energy: -208.316
where: short stacking energy: -84.633
Base-Backbone interact. energy: -0.103
local terms energy: -89.804614
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -25.272
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: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -297.782256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.782256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.782256 (E_RNA)
where:
Base-Base interactions energy: -198.901
where: short stacking energy: -83.026
Base-Backbone interact. energy: -0.023
local terms energy: -98.858936
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -27.940
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: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -281.103552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.103552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.103552 (E_RNA)
where:
Base-Base interactions energy: -188.139
where: short stacking energy: -79.363
Base-Backbone interact. energy: -0.099
local terms energy: -92.865566
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -288.537141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.537141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.537141 (E_RNA)
where:
Base-Base interactions energy: -198.665
where: short stacking energy: -79.262
Base-Backbone interact. energy: -0.222
local terms energy: -89.650020
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -269.757790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.757790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.757790 (E_RNA)
where:
Base-Base interactions energy: -184.074
where: short stacking energy: -76.176
Base-Backbone interact. energy: -0.064
local terms energy: -85.619118
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -26.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -260.756582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.756582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.756582 (E_RNA)
where:
Base-Base interactions energy: -177.857
where: short stacking energy: -76.537
Base-Backbone interact. energy: 0.073
local terms energy: -82.972671
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -12.837
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: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -209.651224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.651224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.651224 (E_RNA)
where:
Base-Base interactions energy: -141.964
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.037
local terms energy: -67.650672
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -9.192
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: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -205.912509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.912509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.912509 (E_RNA)
where:
Base-Base interactions energy: -133.173
where: short stacking energy: -56.982
Base-Backbone interact. energy: -0.983
local terms energy: -71.756603
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.683
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: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -119.331051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.331051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.331051 (E_RNA)
where:
Base-Base interactions energy: -43.992
where: short stacking energy: -38.226
Base-Backbone interact. energy: -1.255
local terms energy: -74.084085
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -11.292
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: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -92.691953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.691953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.691953 (E_RNA)
where:
Base-Base interactions energy: -37.807
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.075
local terms energy: -54.810582
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: 3.502
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: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -289.392629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.392629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.392629 (E_RNA)
where:
Base-Base interactions energy: -204.407
where: short stacking energy: -76.639
Base-Backbone interact. energy: -0.069
local terms energy: -84.916768
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -19.929
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: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -271.225349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.225349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.225349 (E_RNA)
where:
Base-Base interactions energy: -178.858
where: short stacking energy: -78.559
Base-Backbone interact. energy: -0.029
local terms energy: -92.338469
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -25.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -290.686755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.686755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.686755 (E_RNA)
where:
Base-Base interactions energy: -202.389
where: short stacking energy: -83.780
Base-Backbone interact. energy: -0.337
local terms energy: -87.960821
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -26.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -275.427506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.427506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.427506 (E_RNA)
where:
Base-Base interactions energy: -187.096
where: short stacking energy: -78.027
Base-Backbone interact. energy: -0.075
local terms energy: -88.256087
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -25.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -276.026815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.026815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.026815 (E_RNA)
where:
Base-Base interactions energy: -182.953
where: short stacking energy: -83.466
Base-Backbone interact. energy: -0.333
local terms energy: -92.740611
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -28.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -264.853277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.853277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.853277 (E_RNA)
where:
Base-Base interactions energy: -178.803
where: short stacking energy: -70.337
Base-Backbone interact. energy: -0.115
local terms energy: -85.934689
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -213.468700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.468700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.468700 (E_RNA)
where:
Base-Base interactions energy: -130.642
where: short stacking energy: -57.424
Base-Backbone interact. energy: 0.178
local terms energy: -83.004911
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -11.703
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: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -201.412559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.412559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.412559 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.296
local terms energy: -75.112231
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -91.458501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.458501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.458501 (E_RNA)
where:
Base-Base interactions energy: -42.001
where: short stacking energy: -18.989
Base-Backbone interact. energy: 0.661
local terms energy: -50.118843
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -5.673
flat angles P-C4'-P energy: -7.291
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: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -98.262274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.262274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.262274 (E_RNA)
where:
Base-Base interactions energy: -42.264
where: short stacking energy: -25.856
Base-Backbone interact. energy: 2.271
local terms energy: -58.269186
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -289.492394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.492394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.492394 (E_RNA)
where:
Base-Base interactions energy: -202.312
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.056
local terms energy: -87.124574
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -5.269
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: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -289.093924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.093924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.093924 (E_RNA)
where:
Base-Base interactions energy: -188.891
where: short stacking energy: -90.404
Base-Backbone interact. energy: -0.014
local terms energy: -100.188669
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -27.996
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: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -294.914835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.914835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.914835 (E_RNA)
where:
Base-Base interactions energy: -199.930
where: short stacking energy: -85.678
Base-Backbone interact. energy: -0.111
local terms energy: -94.874045
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -267.620490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.620490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.620490 (E_RNA)
where:
Base-Base interactions energy: -177.915
where: short stacking energy: -84.186
Base-Backbone interact. energy: -0.697
local terms energy: -89.008174
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -265.123223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.123223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.123223 (E_RNA)
where:
Base-Base interactions energy: -178.139
where: short stacking energy: -68.413
Base-Backbone interact. energy: -0.100
local terms energy: -86.884072
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -240.567197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.567197 (E_RNA)
where:
Base-Base interactions energy: -160.652
where: short stacking energy: -65.020
Base-Backbone interact. energy: -0.085
local terms energy: -79.830241
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -18.647
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: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -208.022224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.022224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.022224 (E_RNA)
where:
Base-Base interactions energy: -133.846
where: short stacking energy: -50.463
Base-Backbone interact. energy: -1.196
local terms energy: -72.980197
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -238.736689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.736689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.736689 (E_RNA)
where:
Base-Base interactions energy: -159.124
where: short stacking energy: -53.567
Base-Backbone interact. energy: -0.217
local terms energy: -79.395627
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -99.507413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.507413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.507413 (E_RNA)
where:
Base-Base interactions energy: -41.690
where: short stacking energy: -35.985
Base-Backbone interact. energy: -0.018
local terms energy: -57.799914
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -110.249654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.249654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.249654 (E_RNA)
where:
Base-Base interactions energy: -53.887
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.475
local terms energy: -55.887179
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -4.971
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: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -290.233494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.233494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.233494 (E_RNA)
where:
Base-Base interactions energy: -201.664
where: short stacking energy: -78.891
Base-Backbone interact. energy: -0.173
local terms energy: -88.396422
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -23.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -279.169946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.169946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.169946 (E_RNA)
where:
Base-Base interactions energy: -181.289
where: short stacking energy: -84.739
Base-Backbone interact. energy: -0.607
local terms energy: -97.273802
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -15.260
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: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -280.110077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.110077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.110077 (E_RNA)
where:
Base-Base interactions energy: -187.887
where: short stacking energy: -82.880
Base-Backbone interact. energy: -0.001
local terms energy: -92.222024
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -27.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -279.390753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.390753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.390753 (E_RNA)
where:
Base-Base interactions energy: -188.153
where: short stacking energy: -76.537
Base-Backbone interact. energy: -0.119
local terms energy: -91.118241
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -265.414078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.414078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.414078 (E_RNA)
where:
Base-Base interactions energy: -179.361
where: short stacking energy: -81.856
Base-Backbone interact. energy: -0.248
local terms energy: -85.805047
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -24.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -254.782297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.782297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.782297 (E_RNA)
where:
Base-Base interactions energy: -173.511
where: short stacking energy: -70.517
Base-Backbone interact. energy: -0.002
local terms energy: -81.269740
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -24.023
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: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -207.277826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.277826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.277826 (E_RNA)
where:
Base-Base interactions energy: -134.020
where: short stacking energy: -59.990
Base-Backbone interact. energy: 0.626
local terms energy: -73.883864
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -17.152
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: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -222.352099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.352099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.352099 (E_RNA)
where:
Base-Base interactions energy: -148.072
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.032
local terms energy: -74.248025
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -90.243487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.243487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.243487 (E_RNA)
where:
Base-Base interactions energy: -32.634
where: short stacking energy: -22.932
Base-Backbone interact. energy: -0.056
local terms energy: -57.552866
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -83.288338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.288338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.288338 (E_RNA)
where:
Base-Base interactions energy: -25.033
where: short stacking energy: -22.058
Base-Backbone interact. energy: 0.283
local terms energy: -58.537968
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -6.901
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: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -288.867708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.867708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.867708 (E_RNA)
where:
Base-Base interactions energy: -191.690
where: short stacking energy: -82.776
Base-Backbone interact. energy: -0.010
local terms energy: -97.167856
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -26.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -273.408150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.408150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.408150 (E_RNA)
where:
Base-Base interactions energy: -183.868
where: short stacking energy: -69.628
Base-Backbone interact. energy: -0.112
local terms energy: -89.428692
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -277.521940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.521940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.521940 (E_RNA)
where:
Base-Base interactions energy: -190.761
where: short stacking energy: -79.790
Base-Backbone interact. energy: 1.415
local terms energy: -88.176262
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -270.596070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.596070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.596070 (E_RNA)
where:
Base-Base interactions energy: -183.870
where: short stacking energy: -90.898
Base-Backbone interact. energy: 0.455
local terms energy: -87.180846
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -28.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -258.563986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.563986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.563986 (E_RNA)
where:
Base-Base interactions energy: -176.973
where: short stacking energy: -80.358
Base-Backbone interact. energy: -0.087
local terms energy: -81.503553
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -254.663255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.663255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.663255 (E_RNA)
where:
Base-Base interactions energy: -172.936
where: short stacking energy: -69.496
Base-Backbone interact. energy: -0.415
local terms energy: -81.312000
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -205.799365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.799365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.799365 (E_RNA)
where:
Base-Base interactions energy: -131.266
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.046
local terms energy: -74.488330
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -17.493
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: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -201.225997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.225997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.225997 (E_RNA)
where:
Base-Base interactions energy: -135.192
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.139
local terms energy: -65.894991
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -11.252
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: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -115.450315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.450315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.450315 (E_RNA)
where:
Base-Base interactions energy: -44.559
where: short stacking energy: -37.618
Base-Backbone interact. energy: -0.093
local terms energy: -70.798255
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -9.437
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: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -99.752926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.752926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.752926 (E_RNA)
where:
Base-Base interactions energy: -42.873
where: short stacking energy: -38.527
Base-Backbone interact. energy: -0.275
local terms energy: -56.605080
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -10.967
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: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -294.962246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.962246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.962246 (E_RNA)
where:
Base-Base interactions energy: -204.560
where: short stacking energy: -88.696
Base-Backbone interact. energy: -0.133
local terms energy: -90.268673
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -285.932156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.932156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.932156 (E_RNA)
where:
Base-Base interactions energy: -190.243
where: short stacking energy: -83.404
Base-Backbone interact. energy: 1.336
local terms energy: -97.025253
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -25.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -275.585726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.585726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.585726 (E_RNA)
where:
Base-Base interactions energy: -190.002
where: short stacking energy: -65.368
Base-Backbone interact. energy: -0.337
local terms energy: -85.246066
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -273.541911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.541911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.541911 (E_RNA)
where:
Base-Base interactions energy: -186.205
where: short stacking energy: -81.783
Base-Backbone interact. energy: -0.032
local terms energy: -87.305082
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -23.869
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: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -267.341769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.341769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.341769 (E_RNA)
where:
Base-Base interactions energy: -174.604
where: short stacking energy: -76.782
Base-Backbone interact. energy: -0.031
local terms energy: -92.706808
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -26.181
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: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -254.689801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.689801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.689801 (E_RNA)
where:
Base-Base interactions energy: -160.732
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.061
local terms energy: -93.896816
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -208.830995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.830995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.830995 (E_RNA)
where:
Base-Base interactions energy: -136.967
where: short stacking energy: -61.122
Base-Backbone interact. energy: -0.277
local terms energy: -71.587008
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -2.638
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -202.420342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.420342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.420342 (E_RNA)
where:
Base-Base interactions energy: -127.125
where: short stacking energy: -51.884
Base-Backbone interact. energy: -0.981
local terms energy: -74.314342
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -91.644212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.644212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.644212 (E_RNA)
where:
Base-Base interactions energy: -29.867
where: short stacking energy: -18.108
Base-Backbone interact. energy: -0.356
local terms energy: -61.420887
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -11.650
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: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -86.249000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.249000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.249000 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -30.912
Base-Backbone interact. energy: 0.204
local terms energy: -54.460704
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -293.450820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.450820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.450820 (E_RNA)
where:
Base-Base interactions energy: -197.184
where: short stacking energy: -80.182
Base-Backbone interact. energy: -0.159
local terms energy: -96.107182
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -21.708
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: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -289.909835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.909835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.909835 (E_RNA)
where:
Base-Base interactions energy: -196.311
where: short stacking energy: -91.104
Base-Backbone interact. energy: -0.001
local terms energy: -93.597244
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -29.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -274.704005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.704005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.704005 (E_RNA)
where:
Base-Base interactions energy: -185.472
where: short stacking energy: -70.381
Base-Backbone interact. energy: -0.368
local terms energy: -88.863879
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -23.089
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: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -248.111514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.111514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.111514 (E_RNA)
where:
Base-Base interactions energy: -163.456
where: short stacking energy: -71.836
Base-Backbone interact. energy: -0.001
local terms energy: -84.654052
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -270.123426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.123426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.123426 (E_RNA)
where:
Base-Base interactions energy: -183.343
where: short stacking energy: -83.267
Base-Backbone interact. energy: -0.714
local terms energy: -86.066526
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -24.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -264.802916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.802916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.802916 (E_RNA)
where:
Base-Base interactions energy: -171.432
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.014
local terms energy: -93.357052
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -25.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -208.227296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.227296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.227296 (E_RNA)
where:
Base-Base interactions energy: -138.621
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.030
local terms energy: -69.576381
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -167.182449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.182449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.182449 (E_RNA)
where:
Base-Base interactions energy: -98.674
where: short stacking energy: -41.432
Base-Backbone interact. energy: -0.844
local terms energy: -67.664496
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -98.803662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.803662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.803662 (E_RNA)
where:
Base-Base interactions energy: -31.886
where: short stacking energy: -31.724
Base-Backbone interact. energy: -0.642
local terms energy: -66.276407
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -97.806156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.806156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.806156 (E_RNA)
where:
Base-Base interactions energy: -46.835
where: short stacking energy: -23.445
Base-Backbone interact. energy: 0.186
local terms energy: -51.157256
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -0.203
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: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -299.218024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.218024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.218024 (E_RNA)
where:
Base-Base interactions energy: -205.702
where: short stacking energy: -88.006
Base-Backbone interact. energy: -0.019
local terms energy: -93.496907
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -287.237537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.237537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.237537 (E_RNA)
where:
Base-Base interactions energy: -191.768
where: short stacking energy: -77.933
Base-Backbone interact. energy: -0.202
local terms energy: -95.267460
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -24.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -289.348628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.348628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.348628 (E_RNA)
where:
Base-Base interactions energy: -190.270
where: short stacking energy: -77.931
Base-Backbone interact. energy: -0.103
local terms energy: -98.976089
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -27.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -269.460655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.460655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.460655 (E_RNA)
where:
Base-Base interactions energy: -180.574
where: short stacking energy: -83.765
Base-Backbone interact. energy: -0.066
local terms energy: -88.820722
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -25.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -241.212742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.212742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.212742 (E_RNA)
where:
Base-Base interactions energy: -158.789
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.043
local terms energy: -82.380306
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -247.168518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.168518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.168518 (E_RNA)
where:
Base-Base interactions energy: -160.907
where: short stacking energy: -67.326
Base-Backbone interact. energy: -0.034
local terms energy: -86.228238
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -217.144011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.144011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.144011 (E_RNA)
where:
Base-Base interactions energy: -131.889
where: short stacking energy: -58.460
Base-Backbone interact. energy: -0.067
local terms energy: -85.188838
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -11.538
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: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -203.505403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.505403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.505403 (E_RNA)
where:
Base-Base interactions energy: -134.987
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.195
local terms energy: -68.322862
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -97.750142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.750142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.750142 (E_RNA)
where:
Base-Base interactions energy: -48.700
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.234
local terms energy: -48.816288
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: 1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -119.619722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.619722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.619722 (E_RNA)
where:
Base-Base interactions energy: -65.326
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.369
local terms energy: -53.924958
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -287.300712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.300712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.300712 (E_RNA)
where:
Base-Base interactions energy: -188.603
where: short stacking energy: -74.211
Base-Backbone interact. energy: 1.031
local terms energy: -99.729411
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -290.495484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.495484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.495484 (E_RNA)
where:
Base-Base interactions energy: -201.983
where: short stacking energy: -79.509
Base-Backbone interact. energy: -0.971
local terms energy: -87.540954
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -10.578
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: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -278.979577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.979577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.979577 (E_RNA)
where:
Base-Base interactions energy: -187.577
where: short stacking energy: -83.321
Base-Backbone interact. energy: -0.252
local terms energy: -91.150355
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -26.408
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: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -257.818794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.818794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.818794 (E_RNA)
where:
Base-Base interactions energy: -170.423
where: short stacking energy: -79.067
Base-Backbone interact. energy: -0.164
local terms energy: -87.231913
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -269.218418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.218418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.218418 (E_RNA)
where:
Base-Base interactions energy: -185.755
where: short stacking energy: -77.474
Base-Backbone interact. energy: -0.045
local terms energy: -83.418296
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -269.319747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.319747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.319747 (E_RNA)
where:
Base-Base interactions energy: -182.479
where: short stacking energy: -80.203
Base-Backbone interact. energy: -0.002
local terms energy: -86.838007
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -12.426
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: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -212.617300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.617300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.617300 (E_RNA)
where:
Base-Base interactions energy: -137.961
where: short stacking energy: -59.881
Base-Backbone interact. energy: 2.764
local terms energy: -77.420633
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -217.831996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.831996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.831996 (E_RNA)
where:
Base-Base interactions energy: -137.915
where: short stacking energy: -73.711
Base-Backbone interact. energy: -0.131
local terms energy: -79.786008
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -97.884701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.884701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.884701 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.215
local terms energy: -60.595439
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -90.095728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.095728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.095728 (E_RNA)
where:
Base-Base interactions energy: -31.251
where: short stacking energy: -18.796
Base-Backbone interact. energy: -0.278
local terms energy: -58.567262
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -283.591251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.591251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.591251 (E_RNA)
where:
Base-Base interactions energy: -188.750
where: short stacking energy: -85.171
Base-Backbone interact. energy: -1.682
local terms energy: -93.158726
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -11.798
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: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -287.915502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.915502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.915502 (E_RNA)
where:
Base-Base interactions energy: -197.093
where: short stacking energy: -78.712
Base-Backbone interact. energy: -0.054
local terms energy: -90.769061
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -27.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -284.115157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.115157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.115157 (E_RNA)
where:
Base-Base interactions energy: -193.390
where: short stacking energy: -92.630
Base-Backbone interact. energy: -0.095
local terms energy: -90.630304
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -9.810
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: 4, replica: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -272.810510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.810510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.810510 (E_RNA)
where:
Base-Base interactions energy: -178.193
where: short stacking energy: -80.671
Base-Backbone interact. energy: -0.047
local terms energy: -94.570062
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -25.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -273.939695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.939695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.939695 (E_RNA)
where:
Base-Base interactions energy: -190.159
where: short stacking energy: -86.921
Base-Backbone interact. energy: -0.639
local terms energy: -83.141953
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -234.657534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.657534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.657534 (E_RNA)
where:
Base-Base interactions energy: -152.282
where: short stacking energy: -68.850
Base-Backbone interact. energy: -0.218
local terms energy: -82.157316
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -201.485468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.485468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.485468 (E_RNA)
where:
Base-Base interactions energy: -131.890
where: short stacking energy: -54.086
Base-Backbone interact. energy: -0.224
local terms energy: -69.371512
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -13.902
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: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -202.643571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.643571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.643571 (E_RNA)
where:
Base-Base interactions energy: -131.412
where: short stacking energy: -49.676
Base-Backbone interact. energy: -0.235
local terms energy: -70.996459
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -1.834
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -92.291843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.291843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.291843 (E_RNA)
where:
Base-Base interactions energy: -37.250
where: short stacking energy: -31.015
Base-Backbone interact. energy: -0.020
local terms energy: -55.021856
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -85.424176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.424176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.424176 (E_RNA)
where:
Base-Base interactions energy: -43.910
where: short stacking energy: -29.785
Base-Backbone interact. energy: -0.582
local terms energy: -40.932473
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -5.170
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -4.203
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: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -295.883650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.883650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.883650 (E_RNA)
where:
Base-Base interactions energy: -206.014
where: short stacking energy: -81.477
Base-Backbone interact. energy: -0.112
local terms energy: -89.757033
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -25.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -281.729605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.729605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.729605 (E_RNA)
where:
Base-Base interactions energy: -187.959
where: short stacking energy: -77.688
Base-Backbone interact. energy: -0.006
local terms energy: -93.764009
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -290.522764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.522764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.522764 (E_RNA)
where:
Base-Base interactions energy: -190.333
where: short stacking energy: -86.991
Base-Backbone interact. energy: -0.042
local terms energy: -100.147863
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -19.393
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: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -275.011535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.011535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.011535 (E_RNA)
where:
Base-Base interactions energy: -184.890
where: short stacking energy: -79.265
Base-Backbone interact. energy: -0.096
local terms energy: -90.026137
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -29.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -254.010414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.010414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.010414 (E_RNA)
where:
Base-Base interactions energy: -169.307
where: short stacking energy: -68.151
Base-Backbone interact. energy: -0.133
local terms energy: -84.570166
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -18.446
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: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -249.980712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.980712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.980712 (E_RNA)
where:
Base-Base interactions energy: -159.817
where: short stacking energy: -79.152
Base-Backbone interact. energy: -0.494
local terms energy: -89.669674
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -29.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -208.174446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.174446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.174446 (E_RNA)
where:
Base-Base interactions energy: -135.662
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.200
local terms energy: -72.311877
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -15.652
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: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -196.357850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.357850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.357850 (E_RNA)
where:
Base-Base interactions energy: -119.474
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.090
local terms energy: -76.794476
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -86.216320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.216320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.216320 (E_RNA)
where:
Base-Base interactions energy: -32.583
where: short stacking energy: -28.416
Base-Backbone interact. energy: -0.476
local terms energy: -53.157970
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -2.701
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: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -83.559631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.559631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.559631 (E_RNA)
where:
Base-Base interactions energy: -23.463
where: short stacking energy: -20.833
Base-Backbone interact. energy: -0.174
local terms energy: -59.922443
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -302.562639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.562639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.562639 (E_RNA)
where:
Base-Base interactions energy: -208.623
where: short stacking energy: -80.386
Base-Backbone interact. energy: -0.457
local terms energy: -93.482537
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -8.333
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: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -284.842435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.842435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.842435 (E_RNA)
where:
Base-Base interactions energy: -197.270
where: short stacking energy: -84.306
Base-Backbone interact. energy: -0.002
local terms energy: -87.570072
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -282.174911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.174911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.174911 (E_RNA)
where:
Base-Base interactions energy: -192.690
where: short stacking energy: -74.429
Base-Backbone interact. energy: -0.140
local terms energy: -89.345326
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -23.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -262.986326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.986326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.986326 (E_RNA)
where:
Base-Base interactions energy: -180.480
where: short stacking energy: -66.786
Base-Backbone interact. energy: -0.095
local terms energy: -82.411964
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -22.897
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: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -271.667497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.667497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.667497 (E_RNA)
where:
Base-Base interactions energy: -184.982
where: short stacking energy: -74.611
Base-Backbone interact. energy: 0.111
local terms energy: -86.796724
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -15.241
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: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -228.738805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.738805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.738805 (E_RNA)
where:
Base-Base interactions energy: -153.788
where: short stacking energy: -65.435
Base-Backbone interact. energy: 1.034
local terms energy: -75.984431
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -210.905427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.905427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.905427 (E_RNA)
where:
Base-Base interactions energy: -133.299
where: short stacking energy: -61.776
Base-Backbone interact. energy: -0.206
local terms energy: -77.399881
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -212.682639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.682639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.682639 (E_RNA)
where:
Base-Base interactions energy: -145.221
where: short stacking energy: -65.033
Base-Backbone interact. energy: 0.051
local terms energy: -67.513070
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -87.578033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.578033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.578033 (E_RNA)
where:
Base-Base interactions energy: -33.245
where: short stacking energy: -16.701
Base-Backbone interact. energy: -0.584
local terms energy: -53.749848
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: 3.259
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: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -90.092420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.092420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.092420 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -32.869
Base-Backbone interact. energy: -0.001
local terms energy: -53.497629
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -292.042505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.042505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.042505 (E_RNA)
where:
Base-Base interactions energy: -199.656
where: short stacking energy: -78.349
Base-Backbone interact. energy: 1.142
local terms energy: -93.528598
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -288.960826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.960826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.960826 (E_RNA)
where:
Base-Base interactions energy: -198.458
where: short stacking energy: -83.475
Base-Backbone interact. energy: -0.121
local terms energy: -90.381634
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -26.692
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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -280.927986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.927986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.927986 (E_RNA)
where:
Base-Base interactions energy: -180.871
where: short stacking energy: -82.455
Base-Backbone interact. energy: -0.114
local terms energy: -99.942815
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -256.744555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.744555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.744555 (E_RNA)
where:
Base-Base interactions energy: -174.380
where: short stacking energy: -71.564
Base-Backbone interact. energy: -0.014
local terms energy: -82.351291
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -281.117755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.117755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.117755 (E_RNA)
where:
Base-Base interactions energy: -190.911
where: short stacking energy: -81.896
Base-Backbone interact. energy: -0.088
local terms energy: -90.118714
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -24.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -254.604145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.604145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.604145 (E_RNA)
where:
Base-Base interactions energy: -173.409
where: short stacking energy: -76.087
Base-Backbone interact. energy: -0.015
local terms energy: -81.180351
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -21.126
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: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -203.160235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.160235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.160235 (E_RNA)
where:
Base-Base interactions energy: -132.872
where: short stacking energy: -55.398
Base-Backbone interact. energy: 0.094
local terms energy: -70.382974
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -184.086823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.086823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.086823 (E_RNA)
where:
Base-Base interactions energy: -122.703
where: short stacking energy: -52.433
Base-Backbone interact. energy: 0.252
local terms energy: -61.635266
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -8.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -91.103776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103776 (E_RNA)
where:
Base-Base interactions energy: -36.419
where: short stacking energy: -36.318
Base-Backbone interact. energy: 3.061
local terms energy: -57.745344
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -79.102545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.102545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.102545 (E_RNA)
where:
Base-Base interactions energy: -20.461
where: short stacking energy: -20.461
Base-Backbone interact. energy: -0.283
local terms energy: -58.358817
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: 2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -291.181301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.181301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.181301 (E_RNA)
where:
Base-Base interactions energy: -203.185
where: short stacking energy: -79.787
Base-Backbone interact. energy: 3.228
local terms energy: -91.224025
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -25.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -297.651405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.651405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.651405 (E_RNA)
where:
Base-Base interactions energy: -202.374
where: short stacking energy: -83.653
Base-Backbone interact. energy: -0.998
local terms energy: -94.279288
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -25.204
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: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -281.653545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.653545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.653545 (E_RNA)
where:
Base-Base interactions energy: -187.343
where: short stacking energy: -85.883
Base-Backbone interact. energy: -0.128
local terms energy: -94.182757
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -26.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -285.572783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.572783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.572783 (E_RNA)
where:
Base-Base interactions energy: -197.791
where: short stacking energy: -89.200
Base-Backbone interact. energy: -0.115
local terms energy: -87.666780
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -24.726
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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -237.110822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.110822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.110822 (E_RNA)
where:
Base-Base interactions energy: -160.817
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.116
local terms energy: -76.177199
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -251.200049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.200049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.200049 (E_RNA)
where:
Base-Base interactions energy: -175.114
where: short stacking energy: -77.974
Base-Backbone interact. energy: -0.105
local terms energy: -75.981554
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -24.129
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: 67
Temperature: 1.200000
Total energy: -204.389884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.389884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.389884 (E_RNA)
where:
Base-Base interactions energy: -128.346
where: short stacking energy: -58.020
Base-Backbone interact. energy: 1.504
local terms energy: -77.547330
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -16.655
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: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -194.807298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.807298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.807298 (E_RNA)
where:
Base-Base interactions energy: -121.618
where: short stacking energy: -52.543
Base-Backbone interact. energy: -0.091
local terms energy: -73.098226
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -101.437279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.437279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.437279 (E_RNA)
where:
Base-Base interactions energy: -39.993
where: short stacking energy: -35.423
Base-Backbone interact. energy: 2.502
local terms energy: -63.946432
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -100.299301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.299301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.299301 (E_RNA)
where:
Base-Base interactions energy: -38.577
where: short stacking energy: -24.983
Base-Backbone interact. energy: 0.566
local terms energy: -62.288502
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: 0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -298.965750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.965750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.965750 (E_RNA)
where:
Base-Base interactions energy: -207.337
where: short stacking energy: -84.697
Base-Backbone interact. energy: -0.742
local terms energy: -90.886276
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -23.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -284.851019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.851019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.851019 (E_RNA)
where:
Base-Base interactions energy: -197.830
where: short stacking energy: -76.583
Base-Backbone interact. energy: 0.857
local terms energy: -87.877985
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -7.161
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: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -281.845786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.845786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.845786 (E_RNA)
where:
Base-Base interactions energy: -184.994
where: short stacking energy: -77.592
Base-Backbone interact. energy: -0.738
local terms energy: -96.114005
where:
bonds (distance) C4'-P energy: -21.764
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -15.481
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -273.544617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.544617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.544617 (E_RNA)
where:
Base-Base interactions energy: -182.134
where: short stacking energy: -77.627
Base-Backbone interact. energy: -0.062
local terms energy: -91.349517
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -266.111548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.111548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.111548 (E_RNA)
where:
Base-Base interactions energy: -171.511
where: short stacking energy: -78.579
Base-Backbone interact. energy: -0.021
local terms energy: -94.579875
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -25.494
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: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -243.766093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.766093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.766093 (E_RNA)
where:
Base-Base interactions energy: -153.171
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.068
local terms energy: -90.526928
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -22.466
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -215.299186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.299186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.299186 (E_RNA)
where:
Base-Base interactions energy: -141.687
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.048
local terms energy: -73.563544
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -20.169
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: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -202.164510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.164510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.164510 (E_RNA)
where:
Base-Base interactions energy: -123.646
where: short stacking energy: -55.966
Base-Backbone interact. energy: -0.093
local terms energy: -78.425694
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -110.389799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.389799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.389799 (E_RNA)
where:
Base-Base interactions energy: -48.768
where: short stacking energy: -29.454
Base-Backbone interact. energy: -0.098
local terms energy: -61.524189
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -4.145
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: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -88.078839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.078839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.078839 (E_RNA)
where:
Base-Base interactions energy: -32.634
where: short stacking energy: -28.168
Base-Backbone interact. energy: -0.304
local terms energy: -55.140976
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -296.710702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.710702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.710702 (E_RNA)
where:
Base-Base interactions energy: -203.946
where: short stacking energy: -83.662
Base-Backbone interact. energy: -0.090
local terms energy: -92.675295
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -280.904964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.904964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.904964 (E_RNA)
where:
Base-Base interactions energy: -193.445
where: short stacking energy: -81.639
Base-Backbone interact. energy: -0.011
local terms energy: -87.449181
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -11.128
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: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -269.553872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.553872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.553872 (E_RNA)
where:
Base-Base interactions energy: -185.213
where: short stacking energy: -68.731
Base-Backbone interact. energy: -0.052
local terms energy: -84.289295
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -22.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -280.190644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.190644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.190644 (E_RNA)
where:
Base-Base interactions energy: -179.294
where: short stacking energy: -85.618
Base-Backbone interact. energy: -0.001
local terms energy: -100.895655
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -277.409894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.409894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.409894 (E_RNA)
where:
Base-Base interactions energy: -191.465
where: short stacking energy: -71.070
Base-Backbone interact. energy: 1.963
local terms energy: -87.908214
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -20.286
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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -245.308838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.308838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.308838 (E_RNA)
where:
Base-Base interactions energy: -160.093
where: short stacking energy: -69.966
Base-Backbone interact. energy: -0.711
local terms energy: -84.503935
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -216.033639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.033639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.033639 (E_RNA)
where:
Base-Base interactions energy: -129.160
where: short stacking energy: -69.511
Base-Backbone interact. energy: -0.485
local terms energy: -86.388506
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -210.625211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.625211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.625211 (E_RNA)
where:
Base-Base interactions energy: -135.983
where: short stacking energy: -56.121
Base-Backbone interact. energy: -0.389
local terms energy: -74.252724
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -90.953108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.953108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.953108 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -29.929
Base-Backbone interact. energy: -0.091
local terms energy: -51.374820
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -91.363877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.363877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.363877 (E_RNA)
where:
Base-Base interactions energy: -28.115
where: short stacking energy: -23.694
Base-Backbone interact. energy: -0.183
local terms energy: -63.065859
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -5.392
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: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -277.819554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.819554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.819554 (E_RNA)
where:
Base-Base interactions energy: -193.426
where: short stacking energy: -80.425
Base-Backbone interact. energy: -0.183
local terms energy: -84.210322
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -291.015351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.015351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.015351 (E_RNA)
where:
Base-Base interactions energy: -198.758
where: short stacking energy: -85.089
Base-Backbone interact. energy: 0.273
local terms energy: -92.530182
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -24.158
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: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -279.432604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.432604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.432604 (E_RNA)
where:
Base-Base interactions energy: -195.540
where: short stacking energy: -74.355
Base-Backbone interact. energy: -0.065
local terms energy: -83.827845
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -22.758
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: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -276.639065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.639065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.639065 (E_RNA)
where:
Base-Base interactions energy: -192.407
where: short stacking energy: -80.022
Base-Backbone interact. energy: -0.117
local terms energy: -84.114497
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -22.362
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: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -271.875789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.875789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.875789 (E_RNA)
where:
Base-Base interactions energy: -189.848
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.141
local terms energy: -81.887075
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -228.400624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.400624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.400624 (E_RNA)
where:
Base-Base interactions energy: -149.029
where: short stacking energy: -69.109
Base-Backbone interact. energy: 0.994
local terms energy: -80.366369
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -220.070944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.070944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.070944 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -61.132
Base-Backbone interact. energy: -1.037
local terms energy: -80.110751
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -17.283
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: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -224.344154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.344154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.344154 (E_RNA)
where:
Base-Base interactions energy: -141.038
where: short stacking energy: -51.156
Base-Backbone interact. energy: -0.247
local terms energy: -83.058621
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -95.849012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.849012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.849012 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.512
local terms energy: -60.563592
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -85.626634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.626634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.626634 (E_RNA)
where:
Base-Base interactions energy: -30.732
where: short stacking energy: -27.293
Base-Backbone interact. energy: 0.644
local terms energy: -55.539143
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -269.464517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.464517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.464517 (E_RNA)
where:
Base-Base interactions energy: -186.680
where: short stacking energy: -73.343
Base-Backbone interact. energy: -0.847
local terms energy: -81.937138
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -281.386548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.386548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.386548 (E_RNA)
where:
Base-Base interactions energy: -187.973
where: short stacking energy: -70.457
Base-Backbone interact. energy: -0.003
local terms energy: -93.410596
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -285.601814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.601814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.601814 (E_RNA)
where:
Base-Base interactions energy: -196.232
where: short stacking energy: -80.183
Base-Backbone interact. energy: 0.893
local terms energy: -90.262743
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -19.870
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: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -279.611753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.611753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.611753 (E_RNA)
where:
Base-Base interactions energy: -184.876
where: short stacking energy: -83.071
Base-Backbone interact. energy: -0.007
local terms energy: -94.728449
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -24.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -270.270149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.270149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.270149 (E_RNA)
where:
Base-Base interactions energy: -186.799
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.199
local terms energy: -83.272085
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -26.011
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: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -229.215149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.215149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.215149 (E_RNA)
where:
Base-Base interactions energy: -154.961
where: short stacking energy: -63.725
Base-Backbone interact. energy: -0.123
local terms energy: -74.130508
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -211.119378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.119378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.119378 (E_RNA)
where:
Base-Base interactions energy: -134.188
where: short stacking energy: -57.501
Base-Backbone interact. energy: -0.056
local terms energy: -76.875485
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -200.441155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.441155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.441155 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -51.164
Base-Backbone interact. energy: 1.430
local terms energy: -71.017749
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -92.438773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.438773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.438773 (E_RNA)
where:
Base-Base interactions energy: -32.935
where: short stacking energy: -23.429
Base-Backbone interact. energy: -0.477
local terms energy: -59.026551
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -89.275778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.275778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.275778 (E_RNA)
where:
Base-Base interactions energy: -36.850
where: short stacking energy: -30.729
Base-Backbone interact. energy: -1.923
local terms energy: -50.503554
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -301.355128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.355128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.355128 (E_RNA)
where:
Base-Base interactions energy: -208.139
where: short stacking energy: -89.165
Base-Backbone interact. energy: -0.088
local terms energy: -93.128695
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -282.466254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.466254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.466254 (E_RNA)
where:
Base-Base interactions energy: -188.022
where: short stacking energy: -89.073
Base-Backbone interact. energy: -0.126
local terms energy: -94.318281
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -28.356
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: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -278.082695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.082695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.082695 (E_RNA)
where:
Base-Base interactions energy: -185.732
where: short stacking energy: -85.346
Base-Backbone interact. energy: 0.660
local terms energy: -93.010719
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -25.474
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: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -276.361647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.361647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.361647 (E_RNA)
where:
Base-Base interactions energy: -189.550
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.268
local terms energy: -86.543492
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -22.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -271.503229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.503229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.503229 (E_RNA)
where:
Base-Base interactions energy: -188.453
where: short stacking energy: -76.409
Base-Backbone interact. energy: -0.120
local terms energy: -82.930334
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -12.835
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: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -229.104725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.104725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.104725 (E_RNA)
where:
Base-Base interactions energy: -148.524
where: short stacking energy: -70.478
Base-Backbone interact. energy: 0.219
local terms energy: -80.799485
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -20.475
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: 72
Temperature: 1.200000
Total energy: -204.803803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.803803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.803803 (E_RNA)
where:
Base-Base interactions energy: -126.440
where: short stacking energy: -49.789
Base-Backbone interact. energy: -0.078
local terms energy: -78.286020
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -16.055
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: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -202.732450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.732450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.732450 (E_RNA)
where:
Base-Base interactions energy: -129.230
where: short stacking energy: -55.322
Base-Backbone interact. energy: -0.205
local terms energy: -73.297491
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -12.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -100.581051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.581051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.581051 (E_RNA)
where:
Base-Base interactions energy: -33.567
where: short stacking energy: -33.984
Base-Backbone interact. energy: 0.336
local terms energy: -67.350854
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -2.805
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: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -88.562094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.562094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.562094 (E_RNA)
where:
Base-Base interactions energy: -42.316
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.075
local terms energy: -46.171936
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -297.061749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.061749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.061749 (E_RNA)
where:
Base-Base interactions energy: -200.180
where: short stacking energy: -81.610
Base-Backbone interact. energy: -0.097
local terms energy: -96.784535
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -26.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -291.102845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.102845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.102845 (E_RNA)
where:
Base-Base interactions energy: -206.977
where: short stacking energy: -84.381
Base-Backbone interact. energy: -0.161
local terms energy: -83.965239
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -281.801329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.801329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.801329 (E_RNA)
where:
Base-Base interactions energy: -178.458
where: short stacking energy: -76.037
Base-Backbone interact. energy: -0.001
local terms energy: -103.343081
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -282.593072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.593072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.593072 (E_RNA)
where:
Base-Base interactions energy: -196.228
where: short stacking energy: -77.922
Base-Backbone interact. energy: 1.295
local terms energy: -87.660648
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -27.346
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: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -257.722319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.722319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.722319 (E_RNA)
where:
Base-Base interactions energy: -177.815
where: short stacking energy: -82.382
Base-Backbone interact. energy: -0.017
local terms energy: -79.890935
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -13.961
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: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -221.653555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.653555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.653555 (E_RNA)
where:
Base-Base interactions energy: -146.905
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.087
local terms energy: -74.662088
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -16.999
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: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -226.227312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.227312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.227312 (E_RNA)
where:
Base-Base interactions energy: -151.726
where: short stacking energy: -70.080
Base-Backbone interact. energy: -0.091
local terms energy: -74.410403
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -171.920952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.920952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.920952 (E_RNA)
where:
Base-Base interactions energy: -104.155
where: short stacking energy: -44.464
Base-Backbone interact. energy: -0.729
local terms energy: -67.037833
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -9.882
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: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -109.516538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.516538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.516538 (E_RNA)
where:
Base-Base interactions energy: -45.792
where: short stacking energy: -45.792
Base-Backbone interact. energy: 0.879
local terms energy: -64.603747
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -88.162807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162807 (E_RNA)
where:
Base-Base interactions energy: -39.781
where: short stacking energy: -31.478
Base-Backbone interact. energy: -0.219
local terms energy: -48.162615
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -7.721
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: 0.741
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: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -305.708638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.708638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.708638 (E_RNA)
where:
Base-Base interactions energy: -210.491
where: short stacking energy: -81.773
Base-Backbone interact. energy: 0.942
local terms energy: -96.159630
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -12.325
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: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -289.896331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.896331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.896331 (E_RNA)
where:
Base-Base interactions energy: -202.201
where: short stacking energy: -80.732
Base-Backbone interact. energy: -0.282
local terms energy: -87.412772
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -24.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -284.655047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.655047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.655047 (E_RNA)
where:
Base-Base interactions energy: -204.465
where: short stacking energy: -80.274
Base-Backbone interact. energy: -0.436
local terms energy: -79.753861
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -281.255849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.255849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.255849 (E_RNA)
where:
Base-Base interactions energy: -191.773
where: short stacking energy: -78.669
Base-Backbone interact. energy: -0.443
local terms energy: -89.039949
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -225.631158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.631158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.631158 (E_RNA)
where:
Base-Base interactions energy: -145.866
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.824
local terms energy: -78.940780
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -221.323972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.323972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.323972 (E_RNA)
where:
Base-Base interactions energy: -140.751
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.340
local terms energy: -80.232547
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -20.340
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: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -236.303821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.303821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.303821 (E_RNA)
where:
Base-Base interactions energy: -160.953
where: short stacking energy: -62.574
Base-Backbone interact. energy: -0.191
local terms energy: -75.159453
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -182.282754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.282754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.282754 (E_RNA)
where:
Base-Base interactions energy: -115.944
where: short stacking energy: -51.237
Base-Backbone interact. energy: 2.448
local terms energy: -68.786397
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -9.070
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: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -88.590500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590500 (E_RNA)
where:
Base-Base interactions energy: -31.818
where: short stacking energy: -18.296
Base-Backbone interact. energy: -0.295
local terms energy: -56.477936
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: 3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -93.567318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.567318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.567318 (E_RNA)
where:
Base-Base interactions energy: -45.071
where: short stacking energy: -35.323
Base-Backbone interact. energy: -0.097
local terms energy: -48.399096
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -290.679763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.679763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.679763 (E_RNA)
where:
Base-Base interactions energy: -197.061
where: short stacking energy: -83.607
Base-Backbone interact. energy: -0.025
local terms energy: -93.594099
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -288.210407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.210407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.210407 (E_RNA)
where:
Base-Base interactions energy: -194.549
where: short stacking energy: -76.096
Base-Backbone interact. energy: -0.314
local terms energy: -93.346599
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -24.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -278.507004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.507004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.507004 (E_RNA)
where:
Base-Base interactions energy: -194.346
where: short stacking energy: -82.999
Base-Backbone interact. energy: -0.873
local terms energy: -83.287852
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -281.925345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.925345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.925345 (E_RNA)
where:
Base-Base interactions energy: -192.172
where: short stacking energy: -84.666
Base-Backbone interact. energy: -0.021
local terms energy: -89.732187
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -268.049169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.049169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.049169 (E_RNA)
where:
Base-Base interactions energy: -174.580
where: short stacking energy: -85.173
Base-Backbone interact. energy: -0.218
local terms energy: -93.251316
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -232.567922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.567922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.567922 (E_RNA)
where:
Base-Base interactions energy: -151.806
where: short stacking energy: -71.761
Base-Backbone interact. energy: 0.201
local terms energy: -80.962371
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -216.520298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.520298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.520298 (E_RNA)
where:
Base-Base interactions energy: -146.456
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.004
local terms energy: -70.059705
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -150.426188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.426188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.426188 (E_RNA)
where:
Base-Base interactions energy: -78.646
where: short stacking energy: -48.558
Base-Backbone interact. energy: -0.291
local terms energy: -71.489247
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -98.516105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.516105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.516105 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -29.348
Base-Backbone interact. energy: -0.314
local terms energy: -64.715508
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -81.050289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.050289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.050289 (E_RNA)
where:
Base-Base interactions energy: -21.867
where: short stacking energy: -19.372
Base-Backbone interact. energy: -0.157
local terms energy: -59.026361
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -12.802
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: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -288.360911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.360911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.360911 (E_RNA)
where:
Base-Base interactions energy: -201.972
where: short stacking energy: -90.782
Base-Backbone interact. energy: -0.019
local terms energy: -86.369484
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -285.883496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.883496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.883496 (E_RNA)
where:
Base-Base interactions energy: -202.919
where: short stacking energy: -76.583
Base-Backbone interact. energy: -0.096
local terms energy: -82.868459
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -279.840115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.840115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.840115 (E_RNA)
where:
Base-Base interactions energy: -185.797
where: short stacking energy: -80.294
Base-Backbone interact. energy: -0.017
local terms energy: -94.026006
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -25.844
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: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -250.854052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.854052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.854052 (E_RNA)
where:
Base-Base interactions energy: -165.615
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.024
local terms energy: -85.215592
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -15.095
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: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -278.028159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.028159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.028159 (E_RNA)
where:
Base-Base interactions energy: -197.409
where: short stacking energy: -82.624
Base-Backbone interact. energy: -0.094
local terms energy: -80.524507
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -23.240
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: 76
Temperature: 1.150000
Total energy: -234.589380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.589380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.589380 (E_RNA)
where:
Base-Base interactions energy: -157.058
where: short stacking energy: -66.682
Base-Backbone interact. energy: -1.631
local terms energy: -75.899899
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -218.691784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.691784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.691784 (E_RNA)
where:
Base-Base interactions energy: -132.039
where: short stacking energy: -57.382
Base-Backbone interact. energy: -0.095
local terms energy: -86.557249
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -96.161640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.161640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.161640 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -32.881
Base-Backbone interact. energy: -0.120
local terms energy: -63.260395
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -6.122
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: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -96.151892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.151892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.151892 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -36.855
Base-Backbone interact. energy: -0.154
local terms energy: -58.989176
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -88.739853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.739853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.739853 (E_RNA)
where:
Base-Base interactions energy: -29.457
where: short stacking energy: -24.498
Base-Backbone interact. energy: -0.060
local terms energy: -59.222255
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -0.040
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: 77
Temperature: 0.900000
Total energy: -288.410516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.410516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.410516 (E_RNA)
where:
Base-Base interactions energy: -190.958
where: short stacking energy: -89.970
Base-Backbone interact. energy: -0.266
local terms energy: -97.186212
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -286.520462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.520462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.520462 (E_RNA)
where:
Base-Base interactions energy: -193.744
where: short stacking energy: -85.466
Base-Backbone interact. energy: -0.040
local terms energy: -92.735567
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -281.026061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.026061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.026061 (E_RNA)
where:
Base-Base interactions energy: -195.316
where: short stacking energy: -73.071
Base-Backbone interact. energy: -0.191
local terms energy: -85.519617
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -282.290111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.290111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.290111 (E_RNA)
where:
Base-Base interactions energy: -187.937
where: short stacking energy: -90.557
Base-Backbone interact. energy: -0.069
local terms energy: -94.283928
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -14.154
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: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -248.554682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.554682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.554682 (E_RNA)
where:
Base-Base interactions energy: -164.778
where: short stacking energy: -71.252
Base-Backbone interact. energy: -0.253
local terms energy: -83.523657
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -243.119725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.119725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.119725 (E_RNA)
where:
Base-Base interactions energy: -172.794
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.065
local terms energy: -70.261242
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -11.511
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: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -221.808491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.808491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.808491 (E_RNA)
where:
Base-Base interactions energy: -138.151
where: short stacking energy: -65.825
Base-Backbone interact. energy: 1.471
local terms energy: -85.127980
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -19.657
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: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -104.139506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.139506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.139506 (E_RNA)
where:
Base-Base interactions energy: -43.734
where: short stacking energy: -34.032
Base-Backbone interact. energy: -1.640
local terms energy: -58.765074
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -90.703047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.703047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.703047 (E_RNA)
where:
Base-Base interactions energy: -35.563
where: short stacking energy: -33.423
Base-Backbone interact. energy: -0.072
local terms energy: -55.068489
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -81.852368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.852368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.852368 (E_RNA)
where:
Base-Base interactions energy: -36.121
where: short stacking energy: -29.850
Base-Backbone interact. energy: 1.373
local terms energy: -47.104305
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: 1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -290.924825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.924825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.924825 (E_RNA)
where:
Base-Base interactions energy: -200.313
where: short stacking energy: -89.745
Base-Backbone interact. energy: -0.050
local terms energy: -90.561617
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -291.099166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.099166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.099166 (E_RNA)
where:
Base-Base interactions energy: -191.365
where: short stacking energy: -86.002
Base-Backbone interact. energy: -0.089
local terms energy: -99.645372
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -265.602236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.602236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.602236 (E_RNA)
where:
Base-Base interactions energy: -175.929
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.416
local terms energy: -89.257997
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -8.398
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -275.661813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.661813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.661813 (E_RNA)
where:
Base-Base interactions energy: -191.196
where: short stacking energy: -74.526
Base-Backbone interact. energy: -0.258
local terms energy: -84.207937
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -253.703845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.703845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.703845 (E_RNA)
where:
Base-Base interactions energy: -158.847
where: short stacking energy: -76.330
Base-Backbone interact. energy: -1.207
local terms energy: -93.650283
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -240.832765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.832765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.832765 (E_RNA)
where:
Base-Base interactions energy: -163.634
where: short stacking energy: -67.683
Base-Backbone interact. energy: 0.541
local terms energy: -77.739814
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -151.334112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.334112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.334112 (E_RNA)
where:
Base-Base interactions energy: -84.014
where: short stacking energy: -40.417
Base-Backbone interact. energy: -0.128
local terms energy: -67.192528
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -209.702915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.702915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.702915 (E_RNA)
where:
Base-Base interactions energy: -134.191
where: short stacking energy: -60.281
Base-Backbone interact. energy: -0.004
local terms energy: -75.508581
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -93.079884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.079884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.079884 (E_RNA)
where:
Base-Base interactions energy: -48.417
where: short stacking energy: -26.005
Base-Backbone interact. energy: -0.191
local terms energy: -44.471923
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: 0.540
tors. eta vs tors. theta energy: 3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -102.598507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.598507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.598507 (E_RNA)
where:
Base-Base interactions energy: -34.892
where: short stacking energy: -35.692
Base-Backbone interact. energy: 0.396
local terms energy: -68.102320
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -290.919589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.919589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.919589 (E_RNA)
where:
Base-Base interactions energy: -201.272
where: short stacking energy: -80.470
Base-Backbone interact. energy: -0.525
local terms energy: -89.122192
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -279.154780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.154780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.154780 (E_RNA)
where:
Base-Base interactions energy: -183.586
where: short stacking energy: -77.233
Base-Backbone interact. energy: -0.142
local terms energy: -95.426942
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -286.799821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.799821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.799821 (E_RNA)
where:
Base-Base interactions energy: -192.447
where: short stacking energy: -83.245
Base-Backbone interact. energy: -0.045
local terms energy: -94.307555
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.790
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: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -271.381700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.381700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.381700 (E_RNA)
where:
Base-Base interactions energy: -196.537
where: short stacking energy: -71.325
Base-Backbone interact. energy: -0.013
local terms energy: -74.831742
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -258.969502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.969502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.969502 (E_RNA)
where:
Base-Base interactions energy: -172.565
where: short stacking energy: -82.585
Base-Backbone interact. energy: -0.030
local terms energy: -86.374667
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -12.838
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: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -162.540656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.540656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.540656 (E_RNA)
where:
Base-Base interactions energy: -107.772
where: short stacking energy: -47.715
Base-Backbone interact. energy: 0.648
local terms energy: -55.417471
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -8.001
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: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -247.647652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.647652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.647652 (E_RNA)
where:
Base-Base interactions energy: -164.159
where: short stacking energy: -78.168
Base-Backbone interact. energy: -0.008
local terms energy: -83.480803
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -184.112121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.112121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.112121 (E_RNA)
where:
Base-Base interactions energy: -119.464
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.187
local terms energy: -64.461030
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -14.414
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: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -94.998171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.998171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.998171 (E_RNA)
where:
Base-Base interactions energy: -33.420
where: short stacking energy: -23.559
Base-Backbone interact. energy: -0.214
local terms energy: -61.363862
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -109.079247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.079247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.079247 (E_RNA)
where:
Base-Base interactions energy: -50.440
where: short stacking energy: -23.138
Base-Backbone interact. energy: -1.152
local terms energy: -57.487028
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: 2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -289.160146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.160146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.160146 (E_RNA)
where:
Base-Base interactions energy: -192.973
where: short stacking energy: -81.723
Base-Backbone interact. energy: -0.355
local terms energy: -95.832182
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -26.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -293.330180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.330180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.330180 (E_RNA)
where:
Base-Base interactions energy: -198.390
where: short stacking energy: -89.036
Base-Backbone interact. energy: -0.076
local terms energy: -94.864343
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -16.736
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: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -284.578908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.578908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.578908 (E_RNA)
where:
Base-Base interactions energy: -195.047
where: short stacking energy: -76.226
Base-Backbone interact. energy: -0.093
local terms energy: -89.438632
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -24.867
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: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -276.741837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.741837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.741837 (E_RNA)
where:
Base-Base interactions energy: -179.511
where: short stacking energy: -77.719
Base-Backbone interact. energy: 0.790
local terms energy: -98.020925
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -17.213
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: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -271.984891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.984891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.984891 (E_RNA)
where:
Base-Base interactions energy: -177.236
where: short stacking energy: -89.106
Base-Backbone interact. energy: -1.342
local terms energy: -93.406809
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -28.701
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: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -188.409002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.409002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.409002 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -50.419
Base-Backbone interact. energy: -0.535
local terms energy: -68.705717
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -250.761649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.761649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.761649 (E_RNA)
where:
Base-Base interactions energy: -165.298
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.015
local terms energy: -85.448712
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -24.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -167.210387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.210387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.210387 (E_RNA)
where:
Base-Base interactions energy: -97.924
where: short stacking energy: -44.979
Base-Backbone interact. energy: -0.356
local terms energy: -68.930119
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -168.422573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.422573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.422573 (E_RNA)
where:
Base-Base interactions energy: -107.746
where: short stacking energy: -44.792
Base-Backbone interact. energy: -0.144
local terms energy: -60.531701
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -103.018156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.018156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.018156 (E_RNA)
where:
Base-Base interactions energy: -51.147
where: short stacking energy: -28.142
Base-Backbone interact. energy: -0.133
local terms energy: -51.738304
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -304.263109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.263109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.263109 (E_RNA)
where:
Base-Base interactions energy: -211.987
where: short stacking energy: -83.740
Base-Backbone interact. energy: -0.062
local terms energy: -92.214135
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -295.992768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.992768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.992768 (E_RNA)
where:
Base-Base interactions energy: -209.093
where: short stacking energy: -89.813
Base-Backbone interact. energy: -0.062
local terms energy: -86.837931
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -24.892
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: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -285.594958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.594958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.594958 (E_RNA)
where:
Base-Base interactions energy: -202.216
where: short stacking energy: -75.707
Base-Backbone interact. energy: 1.083
local terms energy: -84.462035
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -25.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -284.755557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.755557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.755557 (E_RNA)
where:
Base-Base interactions energy: -190.413
where: short stacking energy: -72.919
Base-Backbone interact. energy: -0.012
local terms energy: -94.330451
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -23.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -251.577888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.577888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.577888 (E_RNA)
where:
Base-Base interactions energy: -172.413
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.091
local terms energy: -79.074488
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -240.674365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.674365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.674365 (E_RNA)
where:
Base-Base interactions energy: -151.797
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.575
local terms energy: -88.302293
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -200.966762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.966762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.966762 (E_RNA)
where:
Base-Base interactions energy: -124.680
where: short stacking energy: -54.964
Base-Backbone interact. energy: -0.005
local terms energy: -76.282243
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -174.599454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.599454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.599454 (E_RNA)
where:
Base-Base interactions energy: -98.467
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.943
local terms energy: -75.189035
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -11.014
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: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -146.040152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.040152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.040152 (E_RNA)
where:
Base-Base interactions energy: -80.969
where: short stacking energy: -40.069
Base-Backbone interact. energy: -0.457
local terms energy: -64.614679
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -91.599317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.599317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.599317 (E_RNA)
where:
Base-Base interactions energy: -30.313
where: short stacking energy: -24.175
Base-Backbone interact. energy: -0.717
local terms energy: -60.569598
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -294.543329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.543329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.543329 (E_RNA)
where:
Base-Base interactions energy: -200.390
where: short stacking energy: -90.263
Base-Backbone interact. energy: 0.316
local terms energy: -94.469232
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -12.052
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: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -294.299110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.299110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.299110 (E_RNA)
where:
Base-Base interactions energy: -203.024
where: short stacking energy: -84.075
Base-Backbone interact. energy: -0.124
local terms energy: -91.151237
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -12.430
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: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -279.398079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.398079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.398079 (E_RNA)
where:
Base-Base interactions energy: -179.382
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.087
local terms energy: -99.928977
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -12.515
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: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -279.699116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.699116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.699116 (E_RNA)
where:
Base-Base interactions energy: -191.122
where: short stacking energy: -84.307
Base-Backbone interact. energy: -0.054
local terms energy: -88.522653
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -27.255
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: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -232.266406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.266406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.266406 (E_RNA)
where:
Base-Base interactions energy: -150.913
where: short stacking energy: -72.397
Base-Backbone interact. energy: -0.070
local terms energy: -81.283283
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -267.947647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.947647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.947647 (E_RNA)
where:
Base-Base interactions energy: -182.863
where: short stacking energy: -75.847
Base-Backbone interact. energy: -0.303
local terms energy: -84.782046
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.787
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: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -217.917203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.917203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.917203 (E_RNA)
where:
Base-Base interactions energy: -139.948
where: short stacking energy: -68.727
Base-Backbone interact. energy: -0.021
local terms energy: -77.948334
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -164.644963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.644963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.644963 (E_RNA)
where:
Base-Base interactions energy: -106.601
where: short stacking energy: -50.250
Base-Backbone interact. energy: -0.367
local terms energy: -57.677321
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -143.836356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.836356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.836356 (E_RNA)
where:
Base-Base interactions energy: -87.686
where: short stacking energy: -35.500
Base-Backbone interact. energy: -0.250
local terms energy: -55.900348
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -85.925743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.925743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.925743 (E_RNA)
where:
Base-Base interactions energy: -26.050
where: short stacking energy: -24.176
Base-Backbone interact. energy: -0.067
local terms energy: -59.808650
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -291.706392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.706392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.706392 (E_RNA)
where:
Base-Base interactions energy: -201.525
where: short stacking energy: -91.833
Base-Backbone interact. energy: 1.970
local terms energy: -92.151046
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -291.698999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.698999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.698999 (E_RNA)
where:
Base-Base interactions energy: -203.516
where: short stacking energy: -80.173
Base-Backbone interact. energy: -0.078
local terms energy: -88.104688
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -21.130
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: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -275.819550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.819550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.819550 (E_RNA)
where:
Base-Base interactions energy: -182.324
where: short stacking energy: -80.695
Base-Backbone interact. energy: -0.516
local terms energy: -92.979611
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -251.376184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.376184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.376184 (E_RNA)
where:
Base-Base interactions energy: -167.341
where: short stacking energy: -67.924
Base-Backbone interact. energy: 2.209
local terms energy: -86.244326
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -17.418
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: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -275.807230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.807230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.807230 (E_RNA)
where:
Base-Base interactions energy: -190.036
where: short stacking energy: -80.586
Base-Backbone interact. energy: -0.095
local terms energy: -85.676019
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -25.701
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: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -257.039755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.039755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.039755 (E_RNA)
where:
Base-Base interactions energy: -175.455
where: short stacking energy: -80.527
Base-Backbone interact. energy: -0.141
local terms energy: -81.443505
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -11.899
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: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -222.312866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.312866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.312866 (E_RNA)
where:
Base-Base interactions energy: -146.408
where: short stacking energy: -67.440
Base-Backbone interact. energy: -0.006
local terms energy: -75.898507
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -3.126
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: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -216.776178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.776178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.776178 (E_RNA)
where:
Base-Base interactions energy: -144.166
where: short stacking energy: -66.569
Base-Backbone interact. energy: -0.078
local terms energy: -72.531661
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -83.899557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.899557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.899557 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -19.478
Base-Backbone interact. energy: -0.253
local terms energy: -56.138900
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: 6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -92.988588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.988588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.988588 (E_RNA)
where:
Base-Base interactions energy: -26.879
where: short stacking energy: -26.879
Base-Backbone interact. energy: -0.085
local terms energy: -66.025114
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -8.522
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: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -287.229135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.229135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.229135 (E_RNA)
where:
Base-Base interactions energy: -197.596
where: short stacking energy: -77.477
Base-Backbone interact. energy: 1.518
local terms energy: -91.151485
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -25.678
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: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -301.182018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.182018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.182018 (E_RNA)
where:
Base-Base interactions energy: -208.357
where: short stacking energy: -84.338
Base-Backbone interact. energy: 3.368
local terms energy: -96.192880
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -282.356906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.356906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.356906 (E_RNA)
where:
Base-Base interactions energy: -187.373
where: short stacking energy: -80.212
Base-Backbone interact. energy: -0.016
local terms energy: -94.967603
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -258.736202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.736202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.736202 (E_RNA)
where:
Base-Base interactions energy: -169.656
where: short stacking energy: -75.958
Base-Backbone interact. energy: 0.527
local terms energy: -89.607399
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -21.897
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: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -272.004148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.004148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.004148 (E_RNA)
where:
Base-Base interactions energy: -180.039
where: short stacking energy: -66.810
Base-Backbone interact. energy: -0.093
local terms energy: -91.871443
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -242.995609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.995609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.995609 (E_RNA)
where:
Base-Base interactions energy: -157.932
where: short stacking energy: -66.617
Base-Backbone interact. energy: -1.350
local terms energy: -83.713391
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -212.463942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.463942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.463942 (E_RNA)
where:
Base-Base interactions energy: -131.272
where: short stacking energy: -62.261
Base-Backbone interact. energy: 0.030
local terms energy: -81.221861
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -189.657640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.657640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.657640 (E_RNA)
where:
Base-Base interactions energy: -114.323
where: short stacking energy: -49.490
Base-Backbone interact. energy: -0.698
local terms energy: -74.635699
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -12.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -92.854909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.854909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.854909 (E_RNA)
where:
Base-Base interactions energy: -32.503
where: short stacking energy: -32.491
Base-Backbone interact. energy: -0.189
local terms energy: -60.163314
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -87.686863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.686863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.686863 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -20.109
Base-Backbone interact. energy: -0.471
local terms energy: -48.319936
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -295.750885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.750885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.750885 (E_RNA)
where:
Base-Base interactions energy: -201.865
where: short stacking energy: -74.686
Base-Backbone interact. energy: -0.413
local terms energy: -93.472970
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -26.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -283.491164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.491164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.491164 (E_RNA)
where:
Base-Base interactions energy: -187.298
where: short stacking energy: -80.670
Base-Backbone interact. energy: 0.776
local terms energy: -96.969065
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -11.458
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: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -293.685515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.685515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.685515 (E_RNA)
where:
Base-Base interactions energy: -204.245
where: short stacking energy: -80.413
Base-Backbone interact. energy: -0.067
local terms energy: -89.373092
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -22.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -283.087839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.087839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.087839 (E_RNA)
where:
Base-Base interactions energy: -193.271
where: short stacking energy: -87.171
Base-Backbone interact. energy: -0.117
local terms energy: -89.699958
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -25.325
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: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -277.848164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.848164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.848164 (E_RNA)
where:
Base-Base interactions energy: -188.656
where: short stacking energy: -76.822
Base-Backbone interact. energy: -0.739
local terms energy: -88.453542
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -251.731786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.731786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.731786 (E_RNA)
where:
Base-Base interactions energy: -170.043
where: short stacking energy: -76.102
Base-Backbone interact. energy: -0.067
local terms energy: -81.622098
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -210.195696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.195696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.195696 (E_RNA)
where:
Base-Base interactions energy: -138.397
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.244
local terms energy: -71.555179
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -177.423392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.423392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.423392 (E_RNA)
where:
Base-Base interactions energy: -113.201
where: short stacking energy: -47.351
Base-Backbone interact. energy: -0.147
local terms energy: -64.075100
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -11.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -95.977630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.977630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.977630 (E_RNA)
where:
Base-Base interactions energy: -34.404
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.119
local terms energy: -61.453991
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -95.650086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.650086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.650086 (E_RNA)
where:
Base-Base interactions energy: -36.707
where: short stacking energy: -27.763
Base-Backbone interact. energy: -0.119
local terms energy: -58.824118
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: 2.690
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: 86
Temperature: 0.900000
Total energy: -290.906312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.906312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.906312 (E_RNA)
where:
Base-Base interactions energy: -199.136
where: short stacking energy: -87.600
Base-Backbone interact. energy: -0.028
local terms energy: -91.742457
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -26.239
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: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -288.468201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.468201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.468201 (E_RNA)
where:
Base-Base interactions energy: -199.021
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.129
local terms energy: -89.318902
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -24.477
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: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -293.448703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.448703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.448703 (E_RNA)
where:
Base-Base interactions energy: -198.343
where: short stacking energy: -87.429
Base-Backbone interact. energy: -1.201
local terms energy: -93.905262
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -274.965385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.965385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.965385 (E_RNA)
where:
Base-Base interactions energy: -187.059
where: short stacking energy: -81.191
Base-Backbone interact. energy: -0.006
local terms energy: -87.900488
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -269.585443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.585443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.585443 (E_RNA)
where:
Base-Base interactions energy: -184.237
where: short stacking energy: -84.725
Base-Backbone interact. energy: -0.064
local terms energy: -85.285216
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -28.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -242.725552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.725552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.725552 (E_RNA)
where:
Base-Base interactions energy: -159.638
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.284
local terms energy: -82.802937
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -15.463
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: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -216.349761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.349761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.349761 (E_RNA)
where:
Base-Base interactions energy: -142.831
where: short stacking energy: -59.783
Base-Backbone interact. energy: 2.288
local terms energy: -75.806596
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -9.683
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -166.432543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.432543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.432543 (E_RNA)
where:
Base-Base interactions energy: -98.641
where: short stacking energy: -50.244
Base-Backbone interact. energy: -0.099
local terms energy: -67.692500
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -101.590784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.590784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.590784 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -32.557
Base-Backbone interact. energy: -0.171
local terms energy: -68.862449
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -6.660
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: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -95.765502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.765502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.765502 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.183
local terms energy: -57.509181
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -5.822
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: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -295.549641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.549641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.549641 (E_RNA)
where:
Base-Base interactions energy: -199.244
where: short stacking energy: -83.031
Base-Backbone interact. energy: -0.431
local terms energy: -95.874260
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -25.093
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: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -291.689120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.689120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.689120 (E_RNA)
where:
Base-Base interactions energy: -195.553
where: short stacking energy: -77.323
Base-Backbone interact. energy: -0.030
local terms energy: -96.105551
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -277.078554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.078554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.078554 (E_RNA)
where:
Base-Base interactions energy: -196.311
where: short stacking energy: -75.678
Base-Backbone interact. energy: -0.148
local terms energy: -80.619143
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -21.758
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: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -286.012835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.012835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.012835 (E_RNA)
where:
Base-Base interactions energy: -188.392
where: short stacking energy: -84.595
Base-Backbone interact. energy: 0.068
local terms energy: -97.689391
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -28.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -262.706119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.706119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.706119 (E_RNA)
where:
Base-Base interactions energy: -186.305
where: short stacking energy: -76.842
Base-Backbone interact. energy: -0.004
local terms energy: -76.397487
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -22.569
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: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -230.906072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.906072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.906072 (E_RNA)
where:
Base-Base interactions energy: -159.896
where: short stacking energy: -64.506
Base-Backbone interact. energy: -0.368
local terms energy: -70.641960
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -7.902
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -17.723
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: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -231.961462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.961462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.961462 (E_RNA)
where:
Base-Base interactions energy: -154.281
where: short stacking energy: -63.481
Base-Backbone interact. energy: 0.017
local terms energy: -77.697722
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -14.603
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: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -167.332513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.332513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.332513 (E_RNA)
where:
Base-Base interactions energy: -100.063
where: short stacking energy: -48.939
Base-Backbone interact. energy: -0.059
local terms energy: -67.210367
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -13.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -105.358361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.358361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.358361 (E_RNA)
where:
Base-Base interactions energy: -43.896
where: short stacking energy: -39.126
Base-Backbone interact. energy: 0.279
local terms energy: -61.741252
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -10.016
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: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -87.198464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.198464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.198464 (E_RNA)
where:
Base-Base interactions energy: -26.818
where: short stacking energy: -26.818
Base-Backbone interact. energy: -0.173
local terms energy: -60.208077
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -303.819768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.819768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.819768 (E_RNA)
where:
Base-Base interactions energy: -208.426
where: short stacking energy: -87.061
Base-Backbone interact. energy: -0.206
local terms energy: -95.187733
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -290.076604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.076604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.076604 (E_RNA)
where:
Base-Base interactions energy: -199.170
where: short stacking energy: -82.210
Base-Backbone interact. energy: -0.209
local terms energy: -90.697411
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -25.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -285.210729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.210729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.210729 (E_RNA)
where:
Base-Base interactions energy: -190.777
where: short stacking energy: -85.274
Base-Backbone interact. energy: -0.108
local terms energy: -94.325527
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -276.677539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.677539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.677539 (E_RNA)
where:
Base-Base interactions energy: -191.322
where: short stacking energy: -71.741
Base-Backbone interact. energy: -0.107
local terms energy: -85.249220
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -250.599234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.599234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.599234 (E_RNA)
where:
Base-Base interactions energy: -170.406
where: short stacking energy: -78.414
Base-Backbone interact. energy: -0.033
local terms energy: -80.160475
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -241.743946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.743946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.743946 (E_RNA)
where:
Base-Base interactions energy: -166.477
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.047
local terms energy: -75.220084
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -232.077669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.077669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.077669 (E_RNA)
where:
Base-Base interactions energy: -159.956
where: short stacking energy: -68.685
Base-Backbone interact. energy: -0.411
local terms energy: -71.710667
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -173.942303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.942303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.942303 (E_RNA)
where:
Base-Base interactions energy: -108.746
where: short stacking energy: -50.741
Base-Backbone interact. energy: -0.143
local terms energy: -65.052437
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -90.392748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.392748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.392748 (E_RNA)
where:
Base-Base interactions energy: -32.143
where: short stacking energy: -25.218
Base-Backbone interact. energy: -0.111
local terms energy: -58.139263
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -7.703
flat angles P-C4'-P energy: -8.022
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -86.293693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.293693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.293693 (E_RNA)
where:
Base-Base interactions energy: -27.350
where: short stacking energy: -27.350
Base-Backbone interact. energy: -0.355
local terms energy: -58.589160
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -288.033435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.033435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.033435 (E_RNA)
where:
Base-Base interactions energy: -191.058
where: short stacking energy: -81.675
Base-Backbone interact. energy: -0.191
local terms energy: -96.785171
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -284.360464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.360464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.360464 (E_RNA)
where:
Base-Base interactions energy: -190.415
where: short stacking energy: -83.676
Base-Backbone interact. energy: -0.001
local terms energy: -93.944285
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -27.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -274.673033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.673033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.673033 (E_RNA)
where:
Base-Base interactions energy: -183.873
where: short stacking energy: -77.054
Base-Backbone interact. energy: -0.444
local terms energy: -90.356466
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -275.639262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.639262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.639262 (E_RNA)
where:
Base-Base interactions energy: -185.014
where: short stacking energy: -72.498
Base-Backbone interact. energy: -0.208
local terms energy: -90.417113
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -257.673891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.673891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.673891 (E_RNA)
where:
Base-Base interactions energy: -169.385
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.059
local terms energy: -88.229488
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -11.443
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: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -262.328528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.328528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.328528 (E_RNA)
where:
Base-Base interactions energy: -180.070
where: short stacking energy: -78.657
Base-Backbone interact. energy: -0.090
local terms energy: -82.168540
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -235.627833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.627833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.627833 (E_RNA)
where:
Base-Base interactions energy: -152.345
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.153
local terms energy: -83.129846
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -200.951297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.951297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.951297 (E_RNA)
where:
Base-Base interactions energy: -135.751
where: short stacking energy: -48.522
Base-Backbone interact. energy: -1.023
local terms energy: -64.177179
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -98.525188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.525188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.525188 (E_RNA)
where:
Base-Base interactions energy: -45.868
where: short stacking energy: -43.091
Base-Backbone interact. energy: 0.104
local terms energy: -52.761698
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -84.198180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.198180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.198180 (E_RNA)
where:
Base-Base interactions energy: -24.899
where: short stacking energy: -23.964
Base-Backbone interact. energy: 1.034
local terms energy: -60.333463
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -280.090974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.090974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.090974 (E_RNA)
where:
Base-Base interactions energy: -180.652
where: short stacking energy: -87.749
Base-Backbone interact. energy: -0.007
local terms energy: -99.432115
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -26.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -290.920694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.920694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.920694 (E_RNA)
where:
Base-Base interactions energy: -201.093
where: short stacking energy: -87.953
Base-Backbone interact. energy: -0.133
local terms energy: -89.695374
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -27.477
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: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -260.767645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.767645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.767645 (E_RNA)
where:
Base-Base interactions energy: -173.624
where: short stacking energy: -78.616
Base-Backbone interact. energy: -0.124
local terms energy: -87.019250
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -275.976669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.976669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.976669 (E_RNA)
where:
Base-Base interactions energy: -189.792
where: short stacking energy: -73.587
Base-Backbone interact. energy: 0.165
local terms energy: -86.349493
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -10.268
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: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -258.023108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.023108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.023108 (E_RNA)
where:
Base-Base interactions energy: -171.958
where: short stacking energy: -73.136
Base-Backbone interact. energy: -0.006
local terms energy: -86.058631
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -23.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -272.326827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.326827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.326827 (E_RNA)
where:
Base-Base interactions energy: -182.157
where: short stacking energy: -72.767
Base-Backbone interact. energy: -0.093
local terms energy: -90.077387
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -242.594047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.594047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.594047 (E_RNA)
where:
Base-Base interactions energy: -163.663
where: short stacking energy: -69.479
Base-Backbone interact. energy: 0.434
local terms energy: -79.365133
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -208.565012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.565012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.565012 (E_RNA)
where:
Base-Base interactions energy: -125.827
where: short stacking energy: -56.642
Base-Backbone interact. energy: 0.109
local terms energy: -82.846771
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -11.342
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: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -93.586085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.586085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.586085 (E_RNA)
where:
Base-Base interactions energy: -41.919
where: short stacking energy: -41.919
Base-Backbone interact. energy: 2.736
local terms energy: -54.403661
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -84.097077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.097077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.097077 (E_RNA)
where:
Base-Base interactions energy: -27.614
where: short stacking energy: -20.111
Base-Backbone interact. energy: 0.178
local terms energy: -56.661654
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -3.539
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: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -287.532304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.532304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.532304 (E_RNA)
where:
Base-Base interactions energy: -194.566
where: short stacking energy: -87.220
Base-Backbone interact. energy: -0.685
local terms energy: -92.281644
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -288.787593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.787593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.787593 (E_RNA)
where:
Base-Base interactions energy: -190.309
where: short stacking energy: -84.905
Base-Backbone interact. energy: -0.488
local terms energy: -97.990023
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -257.134917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.134917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.134917 (E_RNA)
where:
Base-Base interactions energy: -169.547
where: short stacking energy: -70.414
Base-Backbone interact. energy: -0.104
local terms energy: -87.483848
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -16.723
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: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -278.162644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.162644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.162644 (E_RNA)
where:
Base-Base interactions energy: -186.256
where: short stacking energy: -88.508
Base-Backbone interact. energy: -0.129
local terms energy: -91.777599
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -27.638
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: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -277.253867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.253867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.253867 (E_RNA)
where:
Base-Base interactions energy: -185.442
where: short stacking energy: -74.750
Base-Backbone interact. energy: -0.143
local terms energy: -91.669655
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -24.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -274.836588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.836588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.836588 (E_RNA)
where:
Base-Base interactions energy: -191.193
where: short stacking energy: -79.874
Base-Backbone interact. energy: -0.070
local terms energy: -83.573428
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -25.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -255.022951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.022951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.022951 (E_RNA)
where:
Base-Base interactions energy: -175.972
where: short stacking energy: -72.119
Base-Backbone interact. energy: -0.137
local terms energy: -78.913981
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -9.775
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: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -98.780947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.780947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.780947 (E_RNA)
where:
Base-Base interactions energy: -47.087
where: short stacking energy: -33.053
Base-Backbone interact. energy: 1.393
local terms energy: -53.086572
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -158.712380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.712380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.712380 (E_RNA)
where:
Base-Base interactions energy: -89.887
where: short stacking energy: -40.491
Base-Backbone interact. energy: -0.316
local terms energy: -68.509752
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -85.060894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.060894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.060894 (E_RNA)
where:
Base-Base interactions energy: -31.297
where: short stacking energy: -30.864
Base-Backbone interact. energy: 0.314
local terms energy: -54.077515
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -289.664094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.664094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.664094 (E_RNA)
where:
Base-Base interactions energy: -189.566
where: short stacking energy: -85.334
Base-Backbone interact. energy: -0.001
local terms energy: -100.097531
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -27.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -285.791096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.791096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.791096 (E_RNA)
where:
Base-Base interactions energy: -194.052
where: short stacking energy: -86.049
Base-Backbone interact. energy: -0.259
local terms energy: -91.479915
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -26.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -283.579225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.579225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.579225 (E_RNA)
where:
Base-Base interactions energy: -194.691
where: short stacking energy: -73.761
Base-Backbone interact. energy: -0.136
local terms energy: -88.753063
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -13.392
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: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -249.446157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.446157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.446157 (E_RNA)
where:
Base-Base interactions energy: -168.261
where: short stacking energy: -70.689
Base-Backbone interact. energy: -0.348
local terms energy: -80.837074
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -12.899
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: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -258.300785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.300785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.300785 (E_RNA)
where:
Base-Base interactions energy: -171.605
where: short stacking energy: -74.273
Base-Backbone interact. energy: -0.220
local terms energy: -86.475412
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -271.128848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.128848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.128848 (E_RNA)
where:
Base-Base interactions energy: -183.047
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.364
local terms energy: -87.717896
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -261.577258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.577258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.577258 (E_RNA)
where:
Base-Base interactions energy: -181.852
where: short stacking energy: -83.662
Base-Backbone interact. energy: -0.023
local terms energy: -79.702392
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -105.626708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.626708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.626708 (E_RNA)
where:
Base-Base interactions energy: -44.841
where: short stacking energy: -36.850
Base-Backbone interact. energy: -0.094
local terms energy: -60.691466
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -164.337012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.337012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.337012 (E_RNA)
where:
Base-Base interactions energy: -95.357
where: short stacking energy: -61.211
Base-Backbone interact. energy: -0.117
local terms energy: -68.863217
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.743
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: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -81.480767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.480767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.480767 (E_RNA)
where:
Base-Base interactions energy: -32.161
where: short stacking energy: -25.307
Base-Backbone interact. energy: -0.105
local terms energy: -49.214878
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: 1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -309.323485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.323485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.323485 (E_RNA)
where:
Base-Base interactions energy: -213.078
where: short stacking energy: -83.458
Base-Backbone interact. energy: -0.087
local terms energy: -96.159269
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -25.408
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: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -275.372200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.372200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.372200 (E_RNA)
where:
Base-Base interactions energy: -180.614
where: short stacking energy: -81.004
Base-Backbone interact. energy: -0.320
local terms energy: -94.437903
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -28.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -289.007492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.007492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.007492 (E_RNA)
where:
Base-Base interactions energy: -190.593
where: short stacking energy: -81.865
Base-Backbone interact. energy: 0.086
local terms energy: -98.499841
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -27.550
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: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -272.771018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.771018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.771018 (E_RNA)
where:
Base-Base interactions energy: -184.942
where: short stacking energy: -78.445
Base-Backbone interact. energy: -0.151
local terms energy: -87.677908
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -23.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -248.669108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.669108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.669108 (E_RNA)
where:
Base-Base interactions energy: -164.853
where: short stacking energy: -74.345
Base-Backbone interact. energy: 0.841
local terms energy: -84.656826
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -253.921615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.921615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.921615 (E_RNA)
where:
Base-Base interactions energy: -163.115
where: short stacking energy: -58.011
Base-Backbone interact. energy: -0.340
local terms energy: -90.466038
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -14.443
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: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -256.515670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.515670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.515670 (E_RNA)
where:
Base-Base interactions energy: -173.753
where: short stacking energy: -77.674
Base-Backbone interact. energy: -0.055
local terms energy: -82.707421
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -23.687
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: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -125.909711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.909711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.909711 (E_RNA)
where:
Base-Base interactions energy: -65.962
where: short stacking energy: -27.770
Base-Backbone interact. energy: 0.521
local terms energy: -60.469066
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -89.097253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.097253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.097253 (E_RNA)
where:
Base-Base interactions energy: -31.105
where: short stacking energy: -31.105
Base-Backbone interact. energy: -0.044
local terms energy: -57.947987
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -95.881259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.881259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.881259 (E_RNA)
where:
Base-Base interactions energy: -48.063
where: short stacking energy: -26.993
Base-Backbone interact. energy: -0.171
local terms energy: -47.647412
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -300.969155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.969155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.969155 (E_RNA)
where:
Base-Base interactions energy: -205.485
where: short stacking energy: -84.329
Base-Backbone interact. energy: -0.256
local terms energy: -95.228105
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -11.728
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: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -287.783939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.783939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.783939 (E_RNA)
where:
Base-Base interactions energy: -200.205
where: short stacking energy: -74.657
Base-Backbone interact. energy: -0.026
local terms energy: -87.552800
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -298.706814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.706814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.706814 (E_RNA)
where:
Base-Base interactions energy: -209.899
where: short stacking energy: -91.680
Base-Backbone interact. energy: -0.030
local terms energy: -88.778255
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -26.492
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: 94
Temperature: 1.050000
Total energy: -281.836414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.836414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.836414 (E_RNA)
where:
Base-Base interactions energy: -184.410
where: short stacking energy: -88.313
Base-Backbone interact. energy: -0.008
local terms energy: -97.417818
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -270.877675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.877675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.877675 (E_RNA)
where:
Base-Base interactions energy: -187.914
where: short stacking energy: -79.051
Base-Backbone interact. energy: -0.177
local terms energy: -82.786979
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -10.455
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: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -246.286425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.286425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.286425 (E_RNA)
where:
Base-Base interactions energy: -160.170
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.957
local terms energy: -85.159209
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -24.992
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: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -265.871800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.871800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.871800 (E_RNA)
where:
Base-Base interactions energy: -175.725
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.103
local terms energy: -90.043692
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -113.392794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.392794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.392794 (E_RNA)
where:
Base-Base interactions energy: -50.073
where: short stacking energy: -42.117
Base-Backbone interact. energy: 0.063
local terms energy: -63.382878
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -94.867744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867744 (E_RNA)
where:
Base-Base interactions energy: -46.694
where: short stacking energy: -20.980
Base-Backbone interact. energy: 0.379
local terms energy: -48.553706
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -1.996
tors. eta vs tors. theta energy: 1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -89.301757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.301757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.301757 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -34.038
Base-Backbone interact. energy: -0.134
local terms energy: -55.130203
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: 1.816
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: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -296.330134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.330134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.330134 (E_RNA)
where:
Base-Base interactions energy: -200.207
where: short stacking energy: -86.841
Base-Backbone interact. energy: -0.281
local terms energy: -95.841620
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -27.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -292.727683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.727683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.727683 (E_RNA)
where:
Base-Base interactions energy: -201.047
where: short stacking energy: -84.373
Base-Backbone interact. energy: -0.101
local terms energy: -91.579755
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -25.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -277.191422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.191422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.191422 (E_RNA)
where:
Base-Base interactions energy: -190.171
where: short stacking energy: -77.200
Base-Backbone interact. energy: -0.244
local terms energy: -86.776383
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -282.143359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.143359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.143359 (E_RNA)
where:
Base-Base interactions energy: -204.838
where: short stacking energy: -86.716
Base-Backbone interact. energy: 0.510
local terms energy: -77.815893
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -24.841
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: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -267.134107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.134107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.134107 (E_RNA)
where:
Base-Base interactions energy: -172.763
where: short stacking energy: -72.035
Base-Backbone interact. energy: -0.701
local terms energy: -93.669799
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -27.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -254.273601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.273601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.273601 (E_RNA)
where:
Base-Base interactions energy: -176.468
where: short stacking energy: -72.866
Base-Backbone interact. energy: 0.101
local terms energy: -77.906396
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -239.197127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.197127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.197127 (E_RNA)
where:
Base-Base interactions energy: -156.138
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.760
local terms energy: -82.299305
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -22.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -95.430896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.430896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.430896 (E_RNA)
where:
Base-Base interactions energy: -38.863
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.433
local terms energy: -56.135604
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -7.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -97.860945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.860945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.860945 (E_RNA)
where:
Base-Base interactions energy: -43.530
where: short stacking energy: -30.200
Base-Backbone interact. energy: -0.136
local terms energy: -54.194528
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -91.176672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.176672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.176672 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.032
local terms energy: -59.022633
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -11.247
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: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -299.431956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.431956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.431956 (E_RNA)
where:
Base-Base interactions energy: -203.197
where: short stacking energy: -85.796
Base-Backbone interact. energy: -0.067
local terms energy: -96.167327
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -13.431
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: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -280.847693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.847693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.847693 (E_RNA)
where:
Base-Base interactions energy: -181.654
where: short stacking energy: -79.764
Base-Backbone interact. energy: -0.123
local terms energy: -99.070163
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -22.114
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -20.776
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: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -289.318026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.318026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.318026 (E_RNA)
where:
Base-Base interactions energy: -199.634
where: short stacking energy: -84.503
Base-Backbone interact. energy: -0.693
local terms energy: -88.990667
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -27.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -266.473090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.473090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.473090 (E_RNA)
where:
Base-Base interactions energy: -172.768
where: short stacking energy: -76.467
Base-Backbone interact. energy: -0.210
local terms energy: -93.495085
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -23.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -243.164098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.164098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.164098 (E_RNA)
where:
Base-Base interactions energy: -168.742
where: short stacking energy: -70.513
Base-Backbone interact. energy: -0.040
local terms energy: -74.382708
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -252.233468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.233468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.233468 (E_RNA)
where:
Base-Base interactions energy: -171.659
where: short stacking energy: -83.680
Base-Backbone interact. energy: -0.002
local terms energy: -80.573068
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -24.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -206.866317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.866317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.866317 (E_RNA)
where:
Base-Base interactions energy: -133.656
where: short stacking energy: -57.713
Base-Backbone interact. energy: 0.009
local terms energy: -73.219597
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -110.513319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.513319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.513319 (E_RNA)
where:
Base-Base interactions energy: -47.982
where: short stacking energy: -47.924
Base-Backbone interact. energy: -0.943
local terms energy: -61.588101
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -111.632371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.632371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.632371 (E_RNA)
where:
Base-Base interactions energy: -39.652
where: short stacking energy: -30.722
Base-Backbone interact. energy: -0.209
local terms energy: -71.771119
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -89.788883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.788883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.788883 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.894
local terms energy: -54.294594
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: 2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -291.084658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.084658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.084658 (E_RNA)
where:
Base-Base interactions energy: -200.437
where: short stacking energy: -76.692
Base-Backbone interact. energy: -0.169
local terms energy: -90.479061
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -26.155
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: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -293.774170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.774170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.774170 (E_RNA)
where:
Base-Base interactions energy: -198.792
where: short stacking energy: -86.682
Base-Backbone interact. energy: -0.419
local terms energy: -94.563050
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -24.326
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: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -290.834012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.834012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.834012 (E_RNA)
where:
Base-Base interactions energy: -204.467
where: short stacking energy: -88.241
Base-Backbone interact. energy: -0.084
local terms energy: -86.282474
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -23.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -270.888437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.888437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.888437 (E_RNA)
where:
Base-Base interactions energy: -184.986
where: short stacking energy: -83.668
Base-Backbone interact. energy: -0.082
local terms energy: -85.821133
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -26.513
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -269.348169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.348169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.348169 (E_RNA)
where:
Base-Base interactions energy: -186.301
where: short stacking energy: -83.260
Base-Backbone interact. energy: 0.097
local terms energy: -83.144001
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -221.562115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.562115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.562115 (E_RNA)
where:
Base-Base interactions energy: -140.357
where: short stacking energy: -63.991
Base-Backbone interact. energy: -0.092
local terms energy: -81.113686
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -17.003
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: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -248.194646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.194646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.194646 (E_RNA)
where:
Base-Base interactions energy: -160.003
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.067
local terms energy: -88.124819
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -96.830495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.830495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.830495 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -36.049
Base-Backbone interact. energy: -0.406
local terms energy: -60.375335
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -93.147093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.147093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.147093 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -29.212
Base-Backbone interact. energy: -0.108
local terms energy: -62.756455
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -4.756
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: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -87.785819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.785819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.785819 (E_RNA)
where:
Base-Base interactions energy: -31.411
where: short stacking energy: -22.838
Base-Backbone interact. energy: -0.628
local terms energy: -55.746938
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -10.518
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: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -297.167583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.167583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.167583 (E_RNA)
where:
Base-Base interactions energy: -205.901
where: short stacking energy: -89.670
Base-Backbone interact. energy: -0.080
local terms energy: -91.185688
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -22.375
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: 98
Temperature: 0.950000
Total energy: -291.197002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.197002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.197002 (E_RNA)
where:
Base-Base interactions energy: -194.828
where: short stacking energy: -81.251
Base-Backbone interact. energy: -0.016
local terms energy: -96.352364
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -27.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -281.590094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.590094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.590094 (E_RNA)
where:
Base-Base interactions energy: -194.062
where: short stacking energy: -85.260
Base-Backbone interact. energy: -0.034
local terms energy: -87.494291
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -23.711
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: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -274.780430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.780430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.780430 (E_RNA)
where:
Base-Base interactions energy: -178.457
where: short stacking energy: -82.106
Base-Backbone interact. energy: -1.120
local terms energy: -95.203033
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -265.711832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.711832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.711832 (E_RNA)
where:
Base-Base interactions energy: -181.606
where: short stacking energy: -83.940
Base-Backbone interact. energy: -0.017
local terms energy: -84.088848
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -24.363
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: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -221.514048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.514048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.514048 (E_RNA)
where:
Base-Base interactions energy: -146.309
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.047
local terms energy: -75.157774
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -7.874
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: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -222.910535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.910535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.910535 (E_RNA)
where:
Base-Base interactions energy: -143.949
where: short stacking energy: -62.990
Base-Backbone interact. energy: -0.004
local terms energy: -78.958053
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -93.349401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.349401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.349401 (E_RNA)
where:
Base-Base interactions energy: -28.053
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.311
local terms energy: -64.986113
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -105.139108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.139108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.139108 (E_RNA)
where:
Base-Base interactions energy: -44.026
where: short stacking energy: -34.415
Base-Backbone interact. energy: -0.562
local terms energy: -60.551021
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -3.219
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -104.470449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.470449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.470449 (E_RNA)
where:
Base-Base interactions energy: -53.186
where: short stacking energy: -45.895
Base-Backbone interact. energy: -0.382
local terms energy: -50.902162
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -286.520585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.520585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.520585 (E_RNA)
where:
Base-Base interactions energy: -197.998
where: short stacking energy: -83.383
Base-Backbone interact. energy: -0.036
local terms energy: -88.486215
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -19.621
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -287.500113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.500113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.500113 (E_RNA)
where:
Base-Base interactions energy: -188.514
where: short stacking energy: -86.204
Base-Backbone interact. energy: -0.150
local terms energy: -98.836388
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -283.405460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.405460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.405460 (E_RNA)
where:
Base-Base interactions energy: -195.638
where: short stacking energy: -79.217
Base-Backbone interact. energy: -0.984
local terms energy: -86.783612
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -26.093
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: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -278.261816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.261816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.261816 (E_RNA)
where:
Base-Base interactions energy: -187.032
where: short stacking energy: -85.016
Base-Backbone interact. energy: -0.061
local terms energy: -91.169122
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -275.637408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.637408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.637408 (E_RNA)
where:
Base-Base interactions energy: -184.194
where: short stacking energy: -75.531
Base-Backbone interact. energy: -0.454
local terms energy: -90.989622
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -21.536
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: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -267.049335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.049335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.049335 (E_RNA)
where:
Base-Base interactions energy: -178.425
where: short stacking energy: -82.078
Base-Backbone interact. energy: -0.076
local terms energy: -88.549068
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -23.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -216.586647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.586647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.586647 (E_RNA)
where:
Base-Base interactions energy: -144.824
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.103
local terms energy: -71.659075
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -17.808
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: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -102.270541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.270541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.270541 (E_RNA)
where:
Base-Base interactions energy: -43.116
where: short stacking energy: -35.995
Base-Backbone interact. energy: -0.120
local terms energy: -59.034168
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -102.735114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.735114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.735114 (E_RNA)
where:
Base-Base interactions energy: -42.901
where: short stacking energy: -35.313
Base-Backbone interact. energy: 0.211
local terms energy: -60.044986
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -6.611
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: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -86.597983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.597983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.597983 (E_RNA)
where:
Base-Base interactions energy: -22.346
where: short stacking energy: -19.515
Base-Backbone interact. energy: 2.610
local terms energy: -66.861573
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -292.273592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.273592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.273592 (E_RNA)
where:
Base-Base interactions energy: -197.510
where: short stacking energy: -80.600
Base-Backbone interact. energy: -0.030
local terms energy: -94.734351
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -300.014119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.014119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.014119 (E_RNA)
where:
Base-Base interactions energy: -204.395
where: short stacking energy: -83.537
Base-Backbone interact. energy: -0.114
local terms energy: -95.505108
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -288.408056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.408056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.408056 (E_RNA)
where:
Base-Base interactions energy: -199.576
where: short stacking energy: -80.467
Base-Backbone interact. energy: -0.022
local terms energy: -88.810544
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -22.854
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: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -277.517880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.517880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.517880 (E_RNA)
where:
Base-Base interactions energy: -185.969
where: short stacking energy: -85.461
Base-Backbone interact. energy: -0.100
local terms energy: -91.448756
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -22.827
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: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -286.059583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.059583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.059583 (E_RNA)
where:
Base-Base interactions energy: -199.539
where: short stacking energy: -80.697
Base-Backbone interact. energy: -0.145
local terms energy: -86.375306
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -23.392
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: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -261.056212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.056212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.056212 (E_RNA)
where:
Base-Base interactions energy: -176.263
where: short stacking energy: -76.626
Base-Backbone interact. energy: -0.077
local terms energy: -84.716877
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -206.311052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.311052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.311052 (E_RNA)
where:
Base-Base interactions energy: -141.314
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.145
local terms energy: -64.852233
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -98.659133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.659133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.659133 (E_RNA)
where:
Base-Base interactions energy: -38.622
where: short stacking energy: -28.457
Base-Backbone interact. energy: -1.337
local terms energy: -58.700546
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -8.608
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: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -93.871724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871724 (E_RNA)
where:
Base-Base interactions energy: -31.951
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.945
local terms energy: -60.975817
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -0.508
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: 100
Temperature: 1.350000
Total energy: -99.259276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.259276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.259276 (E_RNA)
where:
Base-Base interactions energy: -35.212
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.242
local terms energy: -63.805145
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -294.577080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.577080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.577080 (E_RNA)
where:
Base-Base interactions energy: -198.306
where: short stacking energy: -84.947
Base-Backbone interact. energy: -0.091
local terms energy: -96.179640
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -25.915
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: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -290.331683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.331683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.331683 (E_RNA)
where:
Base-Base interactions energy: -195.084
where: short stacking energy: -86.529
Base-Backbone interact. energy: -0.039
local terms energy: -95.209178
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -22.165
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: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -284.597738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.597738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.597738 (E_RNA)
where:
Base-Base interactions energy: -194.356
where: short stacking energy: -80.392
Base-Backbone interact. energy: -0.098
local terms energy: -90.143619
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -13.156
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: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -280.709844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.709844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.709844 (E_RNA)
where:
Base-Base interactions energy: -191.445
where: short stacking energy: -76.130
Base-Backbone interact. energy: -0.078
local terms energy: -89.186430
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -270.168678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.168678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.168678 (E_RNA)
where:
Base-Base interactions energy: -176.797
where: short stacking energy: -77.712
Base-Backbone interact. energy: -0.177
local terms energy: -93.194473
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -247.863131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.863131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.863131 (E_RNA)
where:
Base-Base interactions energy: -159.774
where: short stacking energy: -73.230
Base-Backbone interact. energy: 1.673
local terms energy: -89.761366
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -220.081454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.081454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.081454 (E_RNA)
where:
Base-Base interactions energy: -138.809
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.000
local terms energy: -81.271653
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -99.918580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.918580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.918580 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -31.571
Base-Backbone interact. energy: 0.152
local terms energy: -63.571140
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -94.807065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.807065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.807065 (E_RNA)
where:
Base-Base interactions energy: -22.329
where: short stacking energy: -18.971
Base-Backbone interact. energy: 0.980
local terms energy: -73.458453
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -81.548809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548809 (E_RNA)
where:
Base-Base interactions energy: -23.916
where: short stacking energy: -23.319
Base-Backbone interact. energy: -0.158
local terms energy: -57.475088
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -2.579
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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -295.242966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.242966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.242966 (E_RNA)
where:
Base-Base interactions energy: -197.436
where: short stacking energy: -80.308
Base-Backbone interact. energy: -1.051
local terms energy: -96.755529
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -25.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -289.983122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.983122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.983122 (E_RNA)
where:
Base-Base interactions energy: -192.693
where: short stacking energy: -90.841
Base-Backbone interact. energy: -0.003
local terms energy: -97.287384
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -27.133
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: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -286.865183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.865183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.865183 (E_RNA)
where:
Base-Base interactions energy: -200.200
where: short stacking energy: -84.522
Base-Backbone interact. energy: -0.041
local terms energy: -86.623783
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -7.809
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: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -289.217718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.217718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.217718 (E_RNA)
where:
Base-Base interactions energy: -200.078
where: short stacking energy: -87.002
Base-Backbone interact. energy: 1.776
local terms energy: -90.916145
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -26.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -260.403388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.403388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.403388 (E_RNA)
where:
Base-Base interactions energy: -178.800
where: short stacking energy: -75.422
Base-Backbone interact. energy: -0.105
local terms energy: -81.498383
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -245.779589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.779589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.779589 (E_RNA)
where:
Base-Base interactions energy: -163.425
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.477
local terms energy: -81.877882
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -208.987395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.987395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.987395 (E_RNA)
where:
Base-Base interactions energy: -146.981
where: short stacking energy: -62.795
Base-Backbone interact. energy: 0.430
local terms energy: -62.435948
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -5.477
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -11.022
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: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -95.187379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.187379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.187379 (E_RNA)
where:
Base-Base interactions energy: -38.075
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.121
local terms energy: -56.990649
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -111.088956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.088956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.088956 (E_RNA)
where:
Base-Base interactions energy: -50.976
where: short stacking energy: -23.140
Base-Backbone interact. energy: -0.463
local terms energy: -59.649670
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -7.573
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: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -82.138301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.138301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.138301 (E_RNA)
where:
Base-Base interactions energy: -18.040
where: short stacking energy: -18.040
Base-Backbone interact. energy: -0.176
local terms energy: -63.922106
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -19.984
flat angles P-C4'-P energy: -11.813
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: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -292.832761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.832761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.832761 (E_RNA)
where:
Base-Base interactions energy: -199.021
where: short stacking energy: -76.362
Base-Backbone interact. energy: -0.002
local terms energy: -93.809893
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -22.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -297.201633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.201633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.201633 (E_RNA)
where:
Base-Base interactions energy: -201.815
where: short stacking energy: -84.567
Base-Backbone interact. energy: -0.095
local terms energy: -95.291050
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -281.675755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.675755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.675755 (E_RNA)
where:
Base-Base interactions energy: -179.678
where: short stacking energy: -79.343
Base-Backbone interact. energy: -0.070
local terms energy: -101.927897
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -27.164
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -275.106534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.106534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.106534 (E_RNA)
where:
Base-Base interactions energy: -187.911
where: short stacking energy: -85.618
Base-Backbone interact. energy: -0.191
local terms energy: -87.004025
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -277.796282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.796282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.796282 (E_RNA)
where:
Base-Base interactions energy: -187.689
where: short stacking energy: -84.301
Base-Backbone interact. energy: -0.577
local terms energy: -89.530302
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -259.856188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.856188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.856188 (E_RNA)
where:
Base-Base interactions energy: -175.726
where: short stacking energy: -72.141
Base-Backbone interact. energy: -0.003
local terms energy: -84.126663
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -21.920
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: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -217.327036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.327036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.327036 (E_RNA)
where:
Base-Base interactions energy: -140.377
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.129
local terms energy: -76.820262
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -104.514841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.514841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.514841 (E_RNA)
where:
Base-Base interactions energy: -39.157
where: short stacking energy: -39.069
Base-Backbone interact. energy: -0.718
local terms energy: -64.639864
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -11.581
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -98.444064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.444064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.444064 (E_RNA)
where:
Base-Base interactions energy: -44.908
where: short stacking energy: -41.152
Base-Backbone interact. energy: -0.054
local terms energy: -53.482055
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -6.843
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: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -89.084164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.084164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.084164 (E_RNA)
where:
Base-Base interactions energy: -31.797
where: short stacking energy: -17.970
Base-Backbone interact. energy: -1.244
local terms energy: -56.042999
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -1.499
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: 104
Temperature: 0.900000
Total energy: -302.101887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.101887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.101887 (E_RNA)
where:
Base-Base interactions energy: -208.690
where: short stacking energy: -84.230
Base-Backbone interact. energy: -0.161
local terms energy: -93.250683
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -13.630
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: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -269.067910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.067910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.067910 (E_RNA)
where:
Base-Base interactions energy: -183.250
where: short stacking energy: -72.671
Base-Backbone interact. energy: -0.227
local terms energy: -85.591385
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -282.560115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.560115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.560115 (E_RNA)
where:
Base-Base interactions energy: -192.627
where: short stacking energy: -78.645
Base-Backbone interact. energy: -0.008
local terms energy: -89.925050
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -278.009207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.009207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.009207 (E_RNA)
where:
Base-Base interactions energy: -197.382
where: short stacking energy: -85.875
Base-Backbone interact. energy: 0.146
local terms energy: -80.772904
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -25.554
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: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -276.777712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.777712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.777712 (E_RNA)
where:
Base-Base interactions energy: -186.880
where: short stacking energy: -86.154
Base-Backbone interact. energy: -0.099
local terms energy: -89.798839
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -14.888
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: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -251.018487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.018487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.018487 (E_RNA)
where:
Base-Base interactions energy: -179.629
where: short stacking energy: -78.652
Base-Backbone interact. energy: -0.116
local terms energy: -71.273415
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -5.560
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -26.110
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: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -207.781279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.781279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.781279 (E_RNA)
where:
Base-Base interactions energy: -130.986
where: short stacking energy: -59.649
Base-Backbone interact. energy: 0.307
local terms energy: -77.102886
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -90.819345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.819345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.819345 (E_RNA)
where:
Base-Base interactions energy: -38.557
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.324
local terms energy: -51.937913
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -89.861902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.861902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.861902 (E_RNA)
where:
Base-Base interactions energy: -37.825
where: short stacking energy: -31.164
Base-Backbone interact. energy: -0.216
local terms energy: -51.820515
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -9.983
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: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -96.346264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.346264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.346264 (E_RNA)
where:
Base-Base interactions energy: -35.159
where: short stacking energy: -34.856
Base-Backbone interact. energy: 0.484
local terms energy: -61.671657
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -293.913624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.913624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.913624 (E_RNA)
where:
Base-Base interactions energy: -204.890
where: short stacking energy: -89.800
Base-Backbone interact. energy: -0.081
local terms energy: -88.942624
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -25.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -288.203645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.203645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.203645 (E_RNA)
where:
Base-Base interactions energy: -185.667
where: short stacking energy: -82.131
Base-Backbone interact. energy: -0.109
local terms energy: -102.427778
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -25.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -252.783137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.783137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.783137 (E_RNA)
where:
Base-Base interactions energy: -167.149
where: short stacking energy: -70.957
Base-Backbone interact. energy: -0.375
local terms energy: -85.259307
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -17.453
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: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -271.879556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.879556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.879556 (E_RNA)
where:
Base-Base interactions energy: -182.252
where: short stacking energy: -73.211
Base-Backbone interact. energy: -0.076
local terms energy: -89.552180
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -25.392
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: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -259.345381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.345381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.345381 (E_RNA)
where:
Base-Base interactions energy: -190.344
where: short stacking energy: -78.436
Base-Backbone interact. energy: -0.066
local terms energy: -68.935293
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -21.689
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: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -262.933739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.933739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.933739 (E_RNA)
where:
Base-Base interactions energy: -175.638
where: short stacking energy: -80.758
Base-Backbone interact. energy: 0.006
local terms energy: -87.301563
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -11.286
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: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -209.458639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.458639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.458639 (E_RNA)
where:
Base-Base interactions energy: -126.291
where: short stacking energy: -57.985
Base-Backbone interact. energy: -0.036
local terms energy: -83.132035
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -115.315516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.315516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.315516 (E_RNA)
where:
Base-Base interactions energy: -48.986
where: short stacking energy: -43.874
Base-Backbone interact. energy: -0.007
local terms energy: -66.322801
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -96.967006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.967006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.967006 (E_RNA)
where:
Base-Base interactions energy: -36.702
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.223
local terms energy: -60.042059
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -2.974
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: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -91.206699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.206699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.206699 (E_RNA)
where:
Base-Base interactions energy: -32.925
where: short stacking energy: -32.925
Base-Backbone interact. energy: 1.478
local terms energy: -59.759560
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: 1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -286.797781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.797781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.797781 (E_RNA)
where:
Base-Base interactions energy: -193.453
where: short stacking energy: -86.887
Base-Backbone interact. energy: -0.003
local terms energy: -93.341483
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -294.489057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.489057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.489057 (E_RNA)
where:
Base-Base interactions energy: -200.390
where: short stacking energy: -79.242
Base-Backbone interact. energy: -0.111
local terms energy: -93.988049
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -26.013
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: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -281.549198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.549198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.549198 (E_RNA)
where:
Base-Base interactions energy: -198.433
where: short stacking energy: -85.276
Base-Backbone interact. energy: -0.005
local terms energy: -83.111560
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -24.837
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: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -281.154305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.154305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.154305 (E_RNA)
where:
Base-Base interactions energy: -193.281
where: short stacking energy: -88.236
Base-Backbone interact. energy: -0.030
local terms energy: -87.842389
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -25.339
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: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -257.511332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.511332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.511332 (E_RNA)
where:
Base-Base interactions energy: -182.259
where: short stacking energy: -73.854
Base-Backbone interact. energy: -0.014
local terms energy: -75.238322
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -250.888007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.888007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.888007 (E_RNA)
where:
Base-Base interactions energy: -166.742
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.265
local terms energy: -83.881042
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -208.150867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.150867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.150867 (E_RNA)
where:
Base-Base interactions energy: -135.679
where: short stacking energy: -59.681
Base-Backbone interact. energy: -0.013
local terms energy: -72.458710
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -104.881361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.881361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.881361 (E_RNA)
where:
Base-Base interactions energy: -49.402
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.147
local terms energy: -55.332792
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.401
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: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -95.876844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.876844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.876844 (E_RNA)
where:
Base-Base interactions energy: -34.508
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.418
local terms energy: -60.950344
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -91.853614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.853614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.853614 (E_RNA)
where:
Base-Base interactions energy: -41.857
where: short stacking energy: -28.365
Base-Backbone interact. energy: -0.056
local terms energy: -49.940894
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -0.245
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -291.701610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.701610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.701610 (E_RNA)
where:
Base-Base interactions energy: -194.440
where: short stacking energy: -85.922
Base-Backbone interact. energy: 0.236
local terms energy: -97.497468
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -27.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -276.513472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.513472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.513472 (E_RNA)
where:
Base-Base interactions energy: -181.909
where: short stacking energy: -74.767
Base-Backbone interact. energy: -0.116
local terms energy: -94.488602
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -20.051
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: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -281.530173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.530173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.530173 (E_RNA)
where:
Base-Base interactions energy: -193.765
where: short stacking energy: -76.513
Base-Backbone interact. energy: -0.069
local terms energy: -87.696966
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -284.078766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.078766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.078766 (E_RNA)
where:
Base-Base interactions energy: -192.953
where: short stacking energy: -81.544
Base-Backbone interact. energy: -0.174
local terms energy: -90.951724
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -275.940833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.940833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.940833 (E_RNA)
where:
Base-Base interactions energy: -181.450
where: short stacking energy: -76.891
Base-Backbone interact. energy: 0.795
local terms energy: -95.285867
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -23.625
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: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -262.448798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.448798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.448798 (E_RNA)
where:
Base-Base interactions energy: -183.465
where: short stacking energy: -73.201
Base-Backbone interact. energy: -0.281
local terms energy: -78.702747
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -199.570431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.570431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.570431 (E_RNA)
where:
Base-Base interactions energy: -134.272
where: short stacking energy: -50.572
Base-Backbone interact. energy: -0.032
local terms energy: -65.267081
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -99.338522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.338522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.338522 (E_RNA)
where:
Base-Base interactions energy: -38.183
where: short stacking energy: -38.183
Base-Backbone interact. energy: -0.386
local terms energy: -60.769049
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -1.124
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -93.106202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.106202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.106202 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -24.370
Base-Backbone interact. energy: -0.080
local terms energy: -54.541832
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -7.931
flat angles P-C4'-P energy: -8.698
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: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -86.621584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.621584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.621584 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -25.227
Base-Backbone interact. energy: 1.437
local terms energy: -58.801545
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -0.488
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: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -287.155274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.155274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.155274 (E_RNA)
where:
Base-Base interactions energy: -191.822
where: short stacking energy: -87.184
Base-Backbone interact. energy: -0.002
local terms energy: -95.331330
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -290.109203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.109203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.109203 (E_RNA)
where:
Base-Base interactions energy: -187.954
where: short stacking energy: -88.776
Base-Backbone interact. energy: -0.003
local terms energy: -102.151736
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -27.681
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: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -279.308223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.308223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.308223 (E_RNA)
where:
Base-Base interactions energy: -191.096
where: short stacking energy: -82.263
Base-Backbone interact. energy: -0.008
local terms energy: -88.205013
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -23.475
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: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -275.835620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.835620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.835620 (E_RNA)
where:
Base-Base interactions energy: -181.906
where: short stacking energy: -78.913
Base-Backbone interact. energy: -0.010
local terms energy: -93.919718
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -11.838
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: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -266.977683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.977683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.977683 (E_RNA)
where:
Base-Base interactions energy: -184.430
where: short stacking energy: -78.636
Base-Backbone interact. energy: -0.028
local terms energy: -82.519231
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -9.267
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: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -268.716238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.716238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.716238 (E_RNA)
where:
Base-Base interactions energy: -185.868
where: short stacking energy: -74.144
Base-Backbone interact. energy: -0.474
local terms energy: -82.373769
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -24.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -221.363726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.363726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.363726 (E_RNA)
where:
Base-Base interactions energy: -142.480
where: short stacking energy: -65.601
Base-Backbone interact. energy: -0.050
local terms energy: -78.833494
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -98.603761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.603761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.603761 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -28.104
Base-Backbone interact. energy: -0.089
local terms energy: -59.665356
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: 3.881
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: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -105.065959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.065959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.065959 (E_RNA)
where:
Base-Base interactions energy: -40.201
where: short stacking energy: -35.966
Base-Backbone interact. energy: 0.387
local terms energy: -65.252515
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -93.781161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.781161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.781161 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -26.296
Base-Backbone interact. energy: -0.046
local terms energy: -57.520881
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -285.901636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.901636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.901636 (E_RNA)
where:
Base-Base interactions energy: -188.583
where: short stacking energy: -85.143
Base-Backbone interact. energy: -0.049
local terms energy: -97.269360
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -21.659
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: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -282.164561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.164561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.164561 (E_RNA)
where:
Base-Base interactions energy: -180.843
where: short stacking energy: -85.669
Base-Backbone interact. energy: -0.017
local terms energy: -101.304223
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -280.801611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.801611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.801611 (E_RNA)
where:
Base-Base interactions energy: -196.767
where: short stacking energy: -83.654
Base-Backbone interact. energy: -0.115
local terms energy: -83.920155
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -22.843
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: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -272.581725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.581725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.581725 (E_RNA)
where:
Base-Base interactions energy: -186.179
where: short stacking energy: -76.226
Base-Backbone interact. energy: -0.291
local terms energy: -86.111999
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -10.286
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: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -265.558764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.558764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.558764 (E_RNA)
where:
Base-Base interactions energy: -179.661
where: short stacking energy: -75.373
Base-Backbone interact. energy: -0.111
local terms energy: -85.787514
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -26.249
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: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -250.808250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.808250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.808250 (E_RNA)
where:
Base-Base interactions energy: -166.835
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.173
local terms energy: -83.800712
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -214.203102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.203102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.203102 (E_RNA)
where:
Base-Base interactions energy: -135.869
where: short stacking energy: -53.449
Base-Backbone interact. energy: -0.041
local terms energy: -78.292965
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -14.310
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: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -116.461517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.461517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.461517 (E_RNA)
where:
Base-Base interactions energy: -57.682
where: short stacking energy: -23.885
Base-Backbone interact. energy: -0.224
local terms energy: -58.555094
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -87.109863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.109863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.109863 (E_RNA)
where:
Base-Base interactions energy: -33.684
where: short stacking energy: -23.020
Base-Backbone interact. energy: 0.144
local terms energy: -53.569883
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -3.448
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: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -77.077771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.077771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.077771 (E_RNA)
where:
Base-Base interactions energy: -22.188
where: short stacking energy: -13.150
Base-Backbone interact. energy: -0.277
local terms energy: -54.613213
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -10.153
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -280.162783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.162783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.162783 (E_RNA)
where:
Base-Base interactions energy: -186.482
where: short stacking energy: -86.087
Base-Backbone interact. energy: -0.138
local terms energy: -93.542685
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -14.215
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: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -278.695939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.695939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.695939 (E_RNA)
where:
Base-Base interactions energy: -188.198
where: short stacking energy: -81.306
Base-Backbone interact. energy: -0.011
local terms energy: -90.486798
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -23.218
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: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -283.499115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.499115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.499115 (E_RNA)
where:
Base-Base interactions energy: -185.292
where: short stacking energy: -85.703
Base-Backbone interact. energy: 0.354
local terms energy: -98.560774
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -28.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -253.446952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.446952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.446952 (E_RNA)
where:
Base-Base interactions energy: -164.285
where: short stacking energy: -82.278
Base-Backbone interact. energy: -0.003
local terms energy: -89.158774
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -25.383
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: 110
Temperature: 1.100000
Total energy: -248.586624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.586624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.586624 (E_RNA)
where:
Base-Base interactions energy: -166.922
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.334
local terms energy: -81.331119
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -236.505411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.505411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.505411 (E_RNA)
where:
Base-Base interactions energy: -160.038
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.490
local terms energy: -75.976831
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -205.991268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.991268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.991268 (E_RNA)
where:
Base-Base interactions energy: -130.451
where: short stacking energy: -64.031
Base-Backbone interact. energy: -0.165
local terms energy: -75.374747
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.516
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: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -94.373842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.373842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.373842 (E_RNA)
where:
Base-Base interactions energy: -42.352
where: short stacking energy: -29.856
Base-Backbone interact. energy: 0.254
local terms energy: -52.276198
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -4.971
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: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -95.749789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.749789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.749789 (E_RNA)
where:
Base-Base interactions energy: -41.381
where: short stacking energy: -22.430
Base-Backbone interact. energy: -0.313
local terms energy: -54.055857
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: 3.973
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: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -98.955658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.955658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.955658 (E_RNA)
where:
Base-Base interactions energy: -40.576
where: short stacking energy: -36.827
Base-Backbone interact. energy: 2.131
local terms energy: -60.510591
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -3.194
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -285.842690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.842690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.842690 (E_RNA)
where:
Base-Base interactions energy: -185.208
where: short stacking energy: -89.570
Base-Backbone interact. energy: -0.460
local terms energy: -100.175004
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -283.029807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.029807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.029807 (E_RNA)
where:
Base-Base interactions energy: -187.858
where: short stacking energy: -75.291
Base-Backbone interact. energy: -0.030
local terms energy: -95.141673
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -25.193
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: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -282.842148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.842148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.842148 (E_RNA)
where:
Base-Base interactions energy: -188.068
where: short stacking energy: -86.564
Base-Backbone interact. energy: -0.005
local terms energy: -94.768409
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -27.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -278.010409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.010409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.010409 (E_RNA)
where:
Base-Base interactions energy: -178.500
where: short stacking energy: -83.746
Base-Backbone interact. energy: -0.003
local terms energy: -99.507572
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -23.804
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: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -249.966522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.966522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.966522 (E_RNA)
where:
Base-Base interactions energy: -161.094
where: short stacking energy: -68.988
Base-Backbone interact. energy: -0.089
local terms energy: -88.783458
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -220.627896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.627896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.627896 (E_RNA)
where:
Base-Base interactions energy: -140.713
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.112
local terms energy: -79.802193
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -202.144003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.144003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.144003 (E_RNA)
where:
Base-Base interactions energy: -129.336
where: short stacking energy: -61.123
Base-Backbone interact. energy: -0.090
local terms energy: -72.717905
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -105.715733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.715733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.715733 (E_RNA)
where:
Base-Base interactions energy: -48.566
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.565
local terms energy: -56.585280
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -8.057
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -104.472059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.472059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.472059 (E_RNA)
where:
Base-Base interactions energy: -45.446
where: short stacking energy: -32.871
Base-Backbone interact. energy: -0.263
local terms energy: -58.763208
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -9.778
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: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -88.509767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.509767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.509767 (E_RNA)
where:
Base-Base interactions energy: -41.435
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.258
local terms energy: -46.816322
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -296.359235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.359235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.359235 (E_RNA)
where:
Base-Base interactions energy: -205.477
where: short stacking energy: -84.234
Base-Backbone interact. energy: -0.038
local terms energy: -90.844021
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -279.233689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.233689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.233689 (E_RNA)
where:
Base-Base interactions energy: -181.172
where: short stacking energy: -86.779
Base-Backbone interact. energy: -0.787
local terms energy: -97.274620
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -24.814
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: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -270.301434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.301434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.301434 (E_RNA)
where:
Base-Base interactions energy: -174.096
where: short stacking energy: -78.176
Base-Backbone interact. energy: -0.476
local terms energy: -95.729719
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -279.718087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.718087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.718087 (E_RNA)
where:
Base-Base interactions energy: -187.350
where: short stacking energy: -79.592
Base-Backbone interact. energy: -0.015
local terms energy: -92.353342
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -16.788
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: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -253.947763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.947763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.947763 (E_RNA)
where:
Base-Base interactions energy: -177.618
where: short stacking energy: -76.645
Base-Backbone interact. energy: -0.379
local terms energy: -75.950839
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -237.551387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.551387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.551387 (E_RNA)
where:
Base-Base interactions energy: -161.424
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.744
local terms energy: -75.383664
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -108.695060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.695060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.695060 (E_RNA)
where:
Base-Base interactions energy: -43.758
where: short stacking energy: -42.822
Base-Backbone interact. energy: -0.952
local terms energy: -63.984995
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -198.528247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.528247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.528247 (E_RNA)
where:
Base-Base interactions energy: -121.557
where: short stacking energy: -55.174
Base-Backbone interact. energy: 0.286
local terms energy: -77.256773
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -98.571906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.571906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.571906 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -28.335
Base-Backbone interact. energy: -0.284
local terms energy: -59.648184
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.562
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: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -89.242260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.242260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.242260 (E_RNA)
where:
Base-Base interactions energy: -33.696
where: short stacking energy: -19.421
Base-Backbone interact. energy: -0.105
local terms energy: -55.441756
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -288.581299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.581299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.581299 (E_RNA)
where:
Base-Base interactions energy: -197.750
where: short stacking energy: -82.812
Base-Backbone interact. energy: -0.073
local terms energy: -90.758724
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -25.907
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: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -291.775756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.775756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.775756 (E_RNA)
where:
Base-Base interactions energy: -201.836
where: short stacking energy: -83.743
Base-Backbone interact. energy: -0.102
local terms energy: -89.837993
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -25.449
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: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -265.888414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.888414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.888414 (E_RNA)
where:
Base-Base interactions energy: -171.923
where: short stacking energy: -77.685
Base-Backbone interact. energy: -0.077
local terms energy: -93.888472
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -17.241
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: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -273.763986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.763986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.763986 (E_RNA)
where:
Base-Base interactions energy: -177.464
where: short stacking energy: -79.197
Base-Backbone interact. energy: 0.698
local terms energy: -96.997370
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -14.372
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -265.957450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.957450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.957450 (E_RNA)
where:
Base-Base interactions energy: -174.552
where: short stacking energy: -75.205
Base-Backbone interact. energy: -0.099
local terms energy: -91.306102
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -11.991
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: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -244.656627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.656627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.656627 (E_RNA)
where:
Base-Base interactions energy: -158.315
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.012
local terms energy: -86.329584
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -121.254166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.254166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.254166 (E_RNA)
where:
Base-Base interactions energy: -58.105
where: short stacking energy: -33.660
Base-Backbone interact. energy: -0.371
local terms energy: -62.777726
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.455
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: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -193.027272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.027272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.027272 (E_RNA)
where:
Base-Base interactions energy: -127.568
where: short stacking energy: -45.626
Base-Backbone interact. energy: 2.870
local terms energy: -68.329082
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -13.318
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: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -112.454194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.454194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.454194 (E_RNA)
where:
Base-Base interactions energy: -58.375
where: short stacking energy: -26.072
Base-Backbone interact. energy: 1.940
local terms energy: -56.019799
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -110.971053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.971053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.971053 (E_RNA)
where:
Base-Base interactions energy: -61.905
where: short stacking energy: -40.287
Base-Backbone interact. energy: -0.604
local terms energy: -48.461594
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -0.969
tors. eta vs tors. theta energy: -4.580
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: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -309.492050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.492050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.492050 (E_RNA)
where:
Base-Base interactions energy: -207.364
where: short stacking energy: -88.702
Base-Backbone interact. energy: -0.101
local terms energy: -102.026867
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -286.244959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.244959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.244959 (E_RNA)
where:
Base-Base interactions energy: -190.630
where: short stacking energy: -78.309
Base-Backbone interact. energy: -0.059
local terms energy: -95.556495
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -23.972
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: 114
Temperature: 1.000000
Total energy: -282.230955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.230955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.230955 (E_RNA)
where:
Base-Base interactions energy: -191.996
where: short stacking energy: -83.202
Base-Backbone interact. energy: -0.169
local terms energy: -90.066064
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -26.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -272.939454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.939454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.939454 (E_RNA)
where:
Base-Base interactions energy: -179.785
where: short stacking energy: -80.235
Base-Backbone interact. energy: 0.919
local terms energy: -94.074063
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -14.351
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: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -237.552797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.552797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.552797 (E_RNA)
where:
Base-Base interactions energy: -154.398
where: short stacking energy: -72.971
Base-Backbone interact. energy: -0.196
local terms energy: -82.958797
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -277.836621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.836621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.836621 (E_RNA)
where:
Base-Base interactions energy: -192.793
where: short stacking energy: -86.395
Base-Backbone interact. energy: -0.077
local terms energy: -84.966026
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -11.761
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: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -213.810477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.810477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.810477 (E_RNA)
where:
Base-Base interactions energy: -137.884
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.124
local terms energy: -75.802153
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -106.354644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.354644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.354644 (E_RNA)
where:
Base-Base interactions energy: -46.689
where: short stacking energy: -40.349
Base-Backbone interact. energy: -1.641
local terms energy: -58.024948
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -94.130265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.130265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.130265 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -26.659
Base-Backbone interact. energy: 1.000
local terms energy: -61.274113
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -107.671833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.671833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.671833 (E_RNA)
where:
Base-Base interactions energy: -36.409
where: short stacking energy: -28.060
Base-Backbone interact. energy: -1.092
local terms energy: -70.170718
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -9.787
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: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -297.386806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.386806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.386806 (E_RNA)
where:
Base-Base interactions energy: -211.710
where: short stacking energy: -85.271
Base-Backbone interact. energy: -0.047
local terms energy: -85.630086
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -296.744470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.744470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.744470 (E_RNA)
where:
Base-Base interactions energy: -202.001
where: short stacking energy: -82.182
Base-Backbone interact. energy: -0.084
local terms energy: -94.659779
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -25.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -270.359423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.359423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.359423 (E_RNA)
where:
Base-Base interactions energy: -190.436
where: short stacking energy: -77.593
Base-Backbone interact. energy: -0.193
local terms energy: -79.729706
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -21.789
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: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -281.379706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.379706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.379706 (E_RNA)
where:
Base-Base interactions energy: -183.098
where: short stacking energy: -86.502
Base-Backbone interact. energy: -0.089
local terms energy: -98.193315
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -14.962
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: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -248.703326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.703326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.703326 (E_RNA)
where:
Base-Base interactions energy: -168.900
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.587
local terms energy: -79.216641
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -261.827362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.827362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.827362 (E_RNA)
where:
Base-Base interactions energy: -173.814
where: short stacking energy: -79.839
Base-Backbone interact. energy: -0.013
local terms energy: -88.000098
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -202.891053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.891053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.891053 (E_RNA)
where:
Base-Base interactions energy: -120.641
where: short stacking energy: -50.246
Base-Backbone interact. energy: -0.112
local terms energy: -82.138064
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -100.395004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.395004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.395004 (E_RNA)
where:
Base-Base interactions energy: -35.149
where: short stacking energy: -35.149
Base-Backbone interact. energy: 1.109
local terms energy: -66.355108
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -89.723637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.723637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.723637 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -33.946
Base-Backbone interact. energy: 0.123
local terms energy: -54.880880
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -5.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -88.889001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.889001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.889001 (E_RNA)
where:
Base-Base interactions energy: -37.541
where: short stacking energy: -36.066
Base-Backbone interact. energy: -0.218
local terms energy: -51.130370
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -8.789
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -4.796
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: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -286.805693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.805693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.805693 (E_RNA)
where:
Base-Base interactions energy: -200.047
where: short stacking energy: -75.198
Base-Backbone interact. energy: -0.107
local terms energy: -86.651243
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -297.953903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.953903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.953903 (E_RNA)
where:
Base-Base interactions energy: -200.032
where: short stacking energy: -79.498
Base-Backbone interact. energy: -0.098
local terms energy: -97.823778
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -27.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -275.008516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.008516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.008516 (E_RNA)
where:
Base-Base interactions energy: -192.681
where: short stacking energy: -80.993
Base-Backbone interact. energy: -0.082
local terms energy: -82.246446
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -271.407938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.407938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.407938 (E_RNA)
where:
Base-Base interactions energy: -177.810
where: short stacking energy: -82.292
Base-Backbone interact. energy: -1.192
local terms energy: -92.406230
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -28.020
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: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -245.379086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.379086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.379086 (E_RNA)
where:
Base-Base interactions energy: -169.751
where: short stacking energy: -63.260
Base-Backbone interact. energy: -0.166
local terms energy: -75.461197
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -266.917489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.917489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.917489 (E_RNA)
where:
Base-Base interactions energy: -183.391
where: short stacking energy: -83.449
Base-Backbone interact. energy: -0.030
local terms energy: -83.496554
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -15.502
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: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -197.635171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.635171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.635171 (E_RNA)
where:
Base-Base interactions energy: -118.210
where: short stacking energy: -56.620
Base-Backbone interact. energy: -0.044
local terms energy: -79.380406
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -11.408
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: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -106.320102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.320102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.320102 (E_RNA)
where:
Base-Base interactions energy: -47.073
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.648
local terms energy: -58.598926
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -92.734412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.734412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.734412 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.426
local terms energy: -58.383229
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -3.679
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: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -92.502844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.502844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.502844 (E_RNA)
where:
Base-Base interactions energy: -31.961
where: short stacking energy: -17.916
Base-Backbone interact. energy: -0.013
local terms energy: -60.528552
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.001
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: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -300.157681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.157681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.157681 (E_RNA)
where:
Base-Base interactions energy: -206.162
where: short stacking energy: -85.463
Base-Backbone interact. energy: -0.031
local terms energy: -93.964827
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -22.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -286.649767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.649767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.649767 (E_RNA)
where:
Base-Base interactions energy: -194.359
where: short stacking energy: -85.870
Base-Backbone interact. energy: -0.310
local terms energy: -91.980379
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -291.899511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.899511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.899511 (E_RNA)
where:
Base-Base interactions energy: -205.215
where: short stacking energy: -81.079
Base-Backbone interact. energy: -0.111
local terms energy: -86.573095
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -237.443115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.443115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.443115 (E_RNA)
where:
Base-Base interactions energy: -152.641
where: short stacking energy: -77.359
Base-Backbone interact. energy: -0.003
local terms energy: -84.799508
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -251.447469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.447469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.447469 (E_RNA)
where:
Base-Base interactions energy: -166.730
where: short stacking energy: -67.476
Base-Backbone interact. energy: -0.094
local terms energy: -84.622801
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -247.987177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.987177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.987177 (E_RNA)
where:
Base-Base interactions energy: -166.490
where: short stacking energy: -71.249
Base-Backbone interact. energy: -0.099
local terms energy: -81.398244
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -15.006
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: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -217.405316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.405316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.405316 (E_RNA)
where:
Base-Base interactions energy: -143.372
where: short stacking energy: -59.378
Base-Backbone interact. energy: -0.193
local terms energy: -73.840370
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -11.774
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: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -101.620427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.620427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.620427 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -41.726
Base-Backbone interact. energy: -0.022
local terms energy: -59.711099
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -102.324018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.324018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.324018 (E_RNA)
where:
Base-Base interactions energy: -41.605
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.739
local terms energy: -59.979703
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -95.098328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.098328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.098328 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -31.624
Base-Backbone interact. energy: -0.282
local terms energy: -58.041978
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -296.521281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.521281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.521281 (E_RNA)
where:
Base-Base interactions energy: -208.402
where: short stacking energy: -83.428
Base-Backbone interact. energy: -0.030
local terms energy: -88.088849
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -290.503271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.503271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.503271 (E_RNA)
where:
Base-Base interactions energy: -201.553
where: short stacking energy: -74.062
Base-Backbone interact. energy: -0.026
local terms energy: -88.924054
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -260.034601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.034601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.034601 (E_RNA)
where:
Base-Base interactions energy: -169.138
where: short stacking energy: -80.715
Base-Backbone interact. energy: -0.615
local terms energy: -90.281017
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -266.174939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.174939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.174939 (E_RNA)
where:
Base-Base interactions energy: -166.729
where: short stacking energy: -75.207
Base-Backbone interact. energy: 0.188
local terms energy: -99.633952
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -243.261198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.261198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.261198 (E_RNA)
where:
Base-Base interactions energy: -162.215
where: short stacking energy: -73.184
Base-Backbone interact. energy: -0.014
local terms energy: -81.031517
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -20.019
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: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -246.750545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.750545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.750545 (E_RNA)
where:
Base-Base interactions energy: -166.737
where: short stacking energy: -65.213
Base-Backbone interact. energy: -0.033
local terms energy: -79.980920
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -200.393442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.393442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.393442 (E_RNA)
where:
Base-Base interactions energy: -132.002
where: short stacking energy: -56.021
Base-Backbone interact. energy: -0.025
local terms energy: -68.366771
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -2.518
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -90.134899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.134899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.134899 (E_RNA)
where:
Base-Base interactions energy: -34.996
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.091
local terms energy: -55.047827
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -96.665966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.665966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.665966 (E_RNA)
where:
Base-Base interactions energy: -40.128
where: short stacking energy: -28.590
Base-Backbone interact. energy: -0.105
local terms energy: -56.432366
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -7.046
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: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -96.089998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.089998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.089998 (E_RNA)
where:
Base-Base interactions energy: -30.396
where: short stacking energy: -22.345
Base-Backbone interact. energy: -0.132
local terms energy: -65.561442
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.496
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: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -300.271916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.271916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.271916 (E_RNA)
where:
Base-Base interactions energy: -210.535
where: short stacking energy: -90.362
Base-Backbone interact. energy: -0.080
local terms energy: -89.656806
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -11.724
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: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -264.374724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.374724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.374724 (E_RNA)
where:
Base-Base interactions energy: -178.731
where: short stacking energy: -81.011
Base-Backbone interact. energy: -0.087
local terms energy: -85.556481
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -280.456375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.456375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.456375 (E_RNA)
where:
Base-Base interactions energy: -193.000
where: short stacking energy: -77.531
Base-Backbone interact. energy: -0.033
local terms energy: -87.423191
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -23.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -275.567178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.567178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.567178 (E_RNA)
where:
Base-Base interactions energy: -186.613
where: short stacking energy: -80.489
Base-Backbone interact. energy: -0.131
local terms energy: -88.823125
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -246.044260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.044260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.044260 (E_RNA)
where:
Base-Base interactions energy: -164.618
where: short stacking energy: -59.924
Base-Backbone interact. energy: -0.095
local terms energy: -81.331191
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -216.884834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.884834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.884834 (E_RNA)
where:
Base-Base interactions energy: -135.432
where: short stacking energy: -58.168
Base-Backbone interact. energy: -0.056
local terms energy: -81.397018
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -237.555140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.555140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.555140 (E_RNA)
where:
Base-Base interactions energy: -158.240
where: short stacking energy: -66.248
Base-Backbone interact. energy: 0.246
local terms energy: -79.560362
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -10.920
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: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -111.149552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.149552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.149552 (E_RNA)
where:
Base-Base interactions energy: -56.949
where: short stacking energy: -40.693
Base-Backbone interact. energy: 0.088
local terms energy: -54.288693
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -89.742971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.742971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.742971 (E_RNA)
where:
Base-Base interactions energy: -33.921
where: short stacking energy: -24.139
Base-Backbone interact. energy: 0.462
local terms energy: -56.283242
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 3.043
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -94.268714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.268714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.268714 (E_RNA)
where:
Base-Base interactions energy: -37.929
where: short stacking energy: -33.428
Base-Backbone interact. energy: 0.021
local terms energy: -56.361280
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -280.928240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.928240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.928240 (E_RNA)
where:
Base-Base interactions energy: -178.948
where: short stacking energy: -85.730
Base-Backbone interact. energy: -0.001
local terms energy: -101.978321
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -27.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -296.807195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.807195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.807195 (E_RNA)
where:
Base-Base interactions energy: -199.133
where: short stacking energy: -85.810
Base-Backbone interact. energy: 0.064
local terms energy: -97.738606
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -279.348432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.348432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.348432 (E_RNA)
where:
Base-Base interactions energy: -187.143
where: short stacking energy: -89.333
Base-Backbone interact. energy: -0.201
local terms energy: -92.004631
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -24.374
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: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -269.082901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.082901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.082901 (E_RNA)
where:
Base-Base interactions energy: -177.007
where: short stacking energy: -74.033
Base-Backbone interact. energy: -0.728
local terms energy: -91.348128
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -243.992492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.992492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.992492 (E_RNA)
where:
Base-Base interactions energy: -164.142
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.339
local terms energy: -79.511356
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -223.766821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.766821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.766821 (E_RNA)
where:
Base-Base interactions energy: -145.383
where: short stacking energy: -66.151
Base-Backbone interact. energy: -0.191
local terms energy: -78.192417
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -17.789
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: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -236.458501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.458501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.458501 (E_RNA)
where:
Base-Base interactions energy: -156.638
where: short stacking energy: -65.742
Base-Backbone interact. energy: -0.079
local terms energy: -79.741089
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -129.458540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.458540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.458540 (E_RNA)
where:
Base-Base interactions energy: -60.596
where: short stacking energy: -39.175
Base-Backbone interact. energy: -0.461
local terms energy: -68.401728
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -11.504
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: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -90.289913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.289913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.289913 (E_RNA)
where:
Base-Base interactions energy: -31.429
where: short stacking energy: -22.455
Base-Backbone interact. energy: -0.970
local terms energy: -57.890713
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -8.378
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: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -97.250762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.250762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.250762 (E_RNA)
where:
Base-Base interactions energy: -34.206
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.196
local terms energy: -62.848941
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -3.405
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: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -290.527149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.527149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.527149 (E_RNA)
where:
Base-Base interactions energy: -194.472
where: short stacking energy: -89.609
Base-Backbone interact. energy: -0.001
local terms energy: -96.054368
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -27.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -290.628245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.628245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.628245 (E_RNA)
where:
Base-Base interactions energy: -200.881
where: short stacking energy: -75.946
Base-Backbone interact. energy: -0.067
local terms energy: -89.680200
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -279.180245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.180245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.180245 (E_RNA)
where:
Base-Base interactions energy: -184.473
where: short stacking energy: -75.866
Base-Backbone interact. energy: -0.002
local terms energy: -94.705172
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -26.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -275.800537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.800537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.800537 (E_RNA)
where:
Base-Base interactions energy: -186.678
where: short stacking energy: -81.897
Base-Backbone interact. energy: -0.085
local terms energy: -89.037529
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -248.339948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.339948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.339948 (E_RNA)
where:
Base-Base interactions energy: -173.671
where: short stacking energy: -59.795
Base-Backbone interact. energy: -0.606
local terms energy: -74.062910
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -253.028152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.028152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.028152 (E_RNA)
where:
Base-Base interactions energy: -169.375
where: short stacking energy: -68.215
Base-Backbone interact. energy: -0.004
local terms energy: -83.649224
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -21.871
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: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -220.602988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.602988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.602988 (E_RNA)
where:
Base-Base interactions energy: -136.988
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.558
local terms energy: -83.056326
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -92.875821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.875821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.875821 (E_RNA)
where:
Base-Base interactions energy: -26.554
where: short stacking energy: -24.372
Base-Backbone interact. energy: -0.510
local terms energy: -65.811859
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -88.129567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.129567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.129567 (E_RNA)
where:
Base-Base interactions energy: -25.566
where: short stacking energy: -24.824
Base-Backbone interact. energy: -0.472
local terms energy: -62.091345
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -4.029
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: 121
Temperature: 1.350000
Total energy: -91.206511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.206511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.206511 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -28.618
Base-Backbone interact. energy: -0.072
local terms energy: -62.516638
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -14.705
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: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -295.211874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.211874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.211874 (E_RNA)
where:
Base-Base interactions energy: -200.985
where: short stacking energy: -84.474
Base-Backbone interact. energy: -0.478
local terms energy: -93.748744
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -22.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -282.677556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.677556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.677556 (E_RNA)
where:
Base-Base interactions energy: -181.880
where: short stacking energy: -79.588
Base-Backbone interact. energy: -0.008
local terms energy: -100.789579
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -16.057
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: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -266.360889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.360889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.360889 (E_RNA)
where:
Base-Base interactions energy: -175.605
where: short stacking energy: -81.278
Base-Backbone interact. energy: -0.121
local terms energy: -90.635034
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -22.317
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: 122
Temperature: 1.050000
Total energy: -280.007559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.007559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.007559 (E_RNA)
where:
Base-Base interactions energy: -189.036
where: short stacking energy: -86.332
Base-Backbone interact. energy: -0.256
local terms energy: -90.715651
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -28.581
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: 122
Temperature: 1.100000
Total energy: -233.364093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.364093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.364093 (E_RNA)
where:
Base-Base interactions energy: -152.291
where: short stacking energy: -69.242
Base-Backbone interact. energy: -0.038
local terms energy: -81.035338
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -271.966261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.966261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.966261 (E_RNA)
where:
Base-Base interactions energy: -184.928
where: short stacking energy: -82.813
Base-Backbone interact. energy: -0.003
local terms energy: -87.034888
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -19.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -226.288455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.288455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.288455 (E_RNA)
where:
Base-Base interactions energy: -146.582
where: short stacking energy: -69.609
Base-Backbone interact. energy: 0.666
local terms energy: -80.372598
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -21.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -103.060137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.060137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.060137 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -32.614
Base-Backbone interact. energy: 1.041
local terms energy: -61.271712
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -94.735310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.735310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.735310 (E_RNA)
where:
Base-Base interactions energy: -39.240
where: short stacking energy: -31.516
Base-Backbone interact. energy: 3.080
local terms energy: -58.575201
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -100.700390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.700390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.700390 (E_RNA)
where:
Base-Base interactions energy: -35.692
where: short stacking energy: -35.692
Base-Backbone interact. energy: -0.251
local terms energy: -64.757873
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -298.267300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.267300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.267300 (E_RNA)
where:
Base-Base interactions energy: -206.289
where: short stacking energy: -74.689
Base-Backbone interact. energy: -0.224
local terms energy: -91.754654
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -296.102212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.102212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.102212 (E_RNA)
where:
Base-Base interactions energy: -207.379
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.124
local terms energy: -88.599820
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -22.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -273.554605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.554605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.554605 (E_RNA)
where:
Base-Base interactions energy: -184.798
where: short stacking energy: -77.894
Base-Backbone interact. energy: -0.119
local terms energy: -88.637628
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -252.857099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.857099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.857099 (E_RNA)
where:
Base-Base interactions energy: -174.066
where: short stacking energy: -75.214
Base-Backbone interact. energy: -0.450
local terms energy: -78.341452
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -261.114588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.114588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.114588 (E_RNA)
where:
Base-Base interactions energy: -181.513
where: short stacking energy: -64.385
Base-Backbone interact. energy: 1.613
local terms energy: -81.214615
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -263.120400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.120400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.120400 (E_RNA)
where:
Base-Base interactions energy: -186.553
where: short stacking energy: -86.925
Base-Backbone interact. energy: -0.098
local terms energy: -76.469184
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -4.822
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: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -207.994408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.994408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.994408 (E_RNA)
where:
Base-Base interactions energy: -133.388
where: short stacking energy: -55.645
Base-Backbone interact. energy: -0.381
local terms energy: -74.225228
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -97.057474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.057474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.057474 (E_RNA)
where:
Base-Base interactions energy: -34.859
where: short stacking energy: -32.273
Base-Backbone interact. energy: -0.137
local terms energy: -62.061348
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -101.009456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.009456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.009456 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -39.721
Base-Backbone interact. energy: -1.447
local terms energy: -59.841806
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -11.249
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: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -103.034040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.034040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.034040 (E_RNA)
where:
Base-Base interactions energy: -52.898
where: short stacking energy: -23.521
Base-Backbone interact. energy: 3.393
local terms energy: -53.528964
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: 1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -290.135837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.135837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.135837 (E_RNA)
where:
Base-Base interactions energy: -187.489
where: short stacking energy: -85.217
Base-Backbone interact. energy: -0.047
local terms energy: -102.599359
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -16.091
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: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -297.135526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.135526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.135526 (E_RNA)
where:
Base-Base interactions energy: -204.479
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.031
local terms energy: -92.625153
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -25.241
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: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -285.141875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.141875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.141875 (E_RNA)
where:
Base-Base interactions energy: -198.655
where: short stacking energy: -84.960
Base-Backbone interact. energy: -0.060
local terms energy: -86.426608
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -283.994477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.994477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.994477 (E_RNA)
where:
Base-Base interactions energy: -185.493
where: short stacking energy: -77.426
Base-Backbone interact. energy: -0.005
local terms energy: -98.496658
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -269.584702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.584702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.584702 (E_RNA)
where:
Base-Base interactions energy: -182.776
where: short stacking energy: -81.000
Base-Backbone interact. energy: -0.108
local terms energy: -86.700808
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -24.359
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: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -253.612707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.612707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.612707 (E_RNA)
where:
Base-Base interactions energy: -176.316
where: short stacking energy: -69.905
Base-Backbone interact. energy: 0.573
local terms energy: -77.869645
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -13.944
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: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -220.885063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.885063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.885063 (E_RNA)
where:
Base-Base interactions energy: -140.068
where: short stacking energy: -49.034
Base-Backbone interact. energy: -0.993
local terms energy: -79.824504
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -108.118477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.118477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.118477 (E_RNA)
where:
Base-Base interactions energy: -40.328
where: short stacking energy: -28.046
Base-Backbone interact. energy: -0.195
local terms energy: -67.595572
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -3.022
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: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -100.974050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.974050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.974050 (E_RNA)
where:
Base-Base interactions energy: -37.903
where: short stacking energy: -32.850
Base-Backbone interact. energy: -0.298
local terms energy: -62.773265
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -11.429
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: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -119.701351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.701351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.701351 (E_RNA)
where:
Base-Base interactions energy: -58.725
where: short stacking energy: -32.428
Base-Backbone interact. energy: -0.417
local terms energy: -60.559238
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -4.984
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: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -296.883675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.883675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.883675 (E_RNA)
where:
Base-Base interactions energy: -206.350
where: short stacking energy: -81.290
Base-Backbone interact. energy: -0.212
local terms energy: -90.321792
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -287.770681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.770681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.770681 (E_RNA)
where:
Base-Base interactions energy: -196.711
where: short stacking energy: -85.551
Base-Backbone interact. energy: -0.075
local terms energy: -90.985387
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -25.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -287.303828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.303828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.303828 (E_RNA)
where:
Base-Base interactions energy: -191.043
where: short stacking energy: -86.898
Base-Backbone interact. energy: -0.651
local terms energy: -95.609704
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -24.106
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: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -285.440922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.440922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.440922 (E_RNA)
where:
Base-Base interactions energy: -201.082
where: short stacking energy: -84.685
Base-Backbone interact. energy: -0.166
local terms energy: -84.193638
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -272.079050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.079050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.079050 (E_RNA)
where:
Base-Base interactions energy: -188.494
where: short stacking energy: -76.964
Base-Backbone interact. energy: -0.008
local terms energy: -83.577149
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -11.979
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: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -210.644976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.644976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.644976 (E_RNA)
where:
Base-Base interactions energy: -141.441
where: short stacking energy: -60.000
Base-Backbone interact. energy: -0.314
local terms energy: -68.890283
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -247.551403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.551403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.551403 (E_RNA)
where:
Base-Base interactions energy: -178.255
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.515
local terms energy: -68.781860
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -8.677
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: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -100.535773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.535773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.535773 (E_RNA)
where:
Base-Base interactions energy: -39.553
where: short stacking energy: -23.719
Base-Backbone interact. energy: -0.928
local terms energy: -60.055387
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -96.738952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.738952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.738952 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.139
local terms energy: -65.449053
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -85.867124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.867124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.867124 (E_RNA)
where:
Base-Base interactions energy: -36.803
where: short stacking energy: -33.643
Base-Backbone interact. energy: 0.273
local terms energy: -49.336605
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -3.035
tors. eta vs tors. theta energy: -4.964
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: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -296.730341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.730341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.730341 (E_RNA)
where:
Base-Base interactions energy: -204.154
where: short stacking energy: -83.893
Base-Backbone interact. energy: -0.120
local terms energy: -92.455763
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -26.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -292.425392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.425392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.425392 (E_RNA)
where:
Base-Base interactions energy: -197.442
where: short stacking energy: -89.873
Base-Backbone interact. energy: -0.127
local terms energy: -94.857114
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -282.254086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.254086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.254086 (E_RNA)
where:
Base-Base interactions energy: -198.238
where: short stacking energy: -82.977
Base-Backbone interact. energy: -0.200
local terms energy: -83.815592
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -275.869636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.869636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.869636 (E_RNA)
where:
Base-Base interactions energy: -192.301
where: short stacking energy: -92.019
Base-Backbone interact. energy: -0.291
local terms energy: -83.277516
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -259.212593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.212593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.212593 (E_RNA)
where:
Base-Base interactions energy: -169.683
where: short stacking energy: -63.783
Base-Backbone interact. energy: 0.299
local terms energy: -89.828494
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -12.310
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: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -223.004871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.004871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.004871 (E_RNA)
where:
Base-Base interactions energy: -142.295
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.114
local terms energy: -80.595816
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -19.882
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: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -252.338178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.338178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.338178 (E_RNA)
where:
Base-Base interactions energy: -180.612
where: short stacking energy: -71.813
Base-Backbone interact. energy: 1.946
local terms energy: -73.672473
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -103.081558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.081558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.081558 (E_RNA)
where:
Base-Base interactions energy: -56.175
where: short stacking energy: -31.503
Base-Backbone interact. energy: 2.217
local terms energy: -49.123289
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -89.016059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.016059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.016059 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -17.510
Base-Backbone interact. energy: -0.254
local terms energy: -55.466502
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -98.075081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.075081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.075081 (E_RNA)
where:
Base-Base interactions energy: -42.748
where: short stacking energy: -35.476
Base-Backbone interact. energy: 0.925
local terms energy: -56.251855
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -2.581
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: 127
Temperature: 0.900000
Total energy: -305.128943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.128943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.128943 (E_RNA)
where:
Base-Base interactions energy: -208.476
where: short stacking energy: -85.388
Base-Backbone interact. energy: -0.101
local terms energy: -96.551141
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -25.512
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: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -280.959044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.959044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.959044 (E_RNA)
where:
Base-Base interactions energy: -188.285
where: short stacking energy: -81.143
Base-Backbone interact. energy: -0.782
local terms energy: -91.892565
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -25.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -273.288436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.288436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.288436 (E_RNA)
where:
Base-Base interactions energy: -190.456
where: short stacking energy: -77.954
Base-Backbone interact. energy: -1.272
local terms energy: -81.560755
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -260.600202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.600202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.600202 (E_RNA)
where:
Base-Base interactions energy: -176.846
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.282
local terms energy: -83.472386
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -260.538043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.538043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.538043 (E_RNA)
where:
Base-Base interactions energy: -174.294
where: short stacking energy: -82.583
Base-Backbone interact. energy: -0.008
local terms energy: -86.236312
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -23.437
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: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -249.026908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.026908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.026908 (E_RNA)
where:
Base-Base interactions energy: -171.942
where: short stacking energy: -71.325
Base-Backbone interact. energy: -0.081
local terms energy: -77.003957
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -209.029272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.029272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.029272 (E_RNA)
where:
Base-Base interactions energy: -135.883
where: short stacking energy: -58.261
Base-Backbone interact. energy: -0.563
local terms energy: -72.583794
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -21.042
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: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -109.506674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.506674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.506674 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -37.459
Base-Backbone interact. energy: -0.185
local terms energy: -69.258009
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -9.081
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: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -95.458439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.458439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.458439 (E_RNA)
where:
Base-Base interactions energy: -30.220
where: short stacking energy: -21.778
Base-Backbone interact. energy: 0.509
local terms energy: -65.747639
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -7.791
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: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -93.990277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.990277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.990277 (E_RNA)
where:
Base-Base interactions energy: -34.891
where: short stacking energy: -34.891
Base-Backbone interact. energy: -0.118
local terms energy: -58.980903
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -297.548758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.548758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.548758 (E_RNA)
where:
Base-Base interactions energy: -199.540
where: short stacking energy: -84.430
Base-Backbone interact. energy: -0.345
local terms energy: -97.663139
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -28.506
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: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -279.284623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.284623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.284623 (E_RNA)
where:
Base-Base interactions energy: -189.444
where: short stacking energy: -85.944
Base-Backbone interact. energy: -0.361
local terms energy: -89.479615
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -272.448463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.448463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.448463 (E_RNA)
where:
Base-Base interactions energy: -187.033
where: short stacking energy: -72.963
Base-Backbone interact. energy: -0.680
local terms energy: -84.735840
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -277.687405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.687405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.687405 (E_RNA)
where:
Base-Base interactions energy: -180.166
where: short stacking energy: -82.327
Base-Backbone interact. energy: -0.009
local terms energy: -97.512142
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -26.255
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: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -238.356753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.356753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.356753 (E_RNA)
where:
Base-Base interactions energy: -156.080
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.075
local terms energy: -82.201520
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -266.463585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.463585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.463585 (E_RNA)
where:
Base-Base interactions energy: -174.167
where: short stacking energy: -80.391
Base-Backbone interact. energy: -0.299
local terms energy: -91.998014
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -24.226
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: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -213.943151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.943151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.943151 (E_RNA)
where:
Base-Base interactions energy: -142.863
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.096
local terms energy: -70.984137
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -19.285
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: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -93.924362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.924362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.924362 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -36.093
Base-Backbone interact. energy: 0.185
local terms energy: -58.016235
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: 0.926
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: 128
Temperature: 1.300000
Total energy: -108.988386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.988386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.988386 (E_RNA)
where:
Base-Base interactions energy: -43.875
where: short stacking energy: -43.734
Base-Backbone interact. energy: -0.118
local terms energy: -64.995635
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -98.999008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.999008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.999008 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -30.993
Base-Backbone interact. energy: -0.290
local terms energy: -64.135128
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -10.014
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: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -295.749592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.749592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.749592 (E_RNA)
where:
Base-Base interactions energy: -205.553
where: short stacking energy: -83.679
Base-Backbone interact. energy: -0.099
local terms energy: -90.097411
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -23.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -281.333937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.333937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.333937 (E_RNA)
where:
Base-Base interactions energy: -187.441
where: short stacking energy: -75.978
Base-Backbone interact. energy: -0.173
local terms energy: -93.719832
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -23.414
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: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -287.315930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.315930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.315930 (E_RNA)
where:
Base-Base interactions energy: -195.351
where: short stacking energy: -81.348
Base-Backbone interact. energy: -0.403
local terms energy: -91.561791
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -25.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -258.362213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.362213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.362213 (E_RNA)
where:
Base-Base interactions energy: -180.246
where: short stacking energy: -75.066
Base-Backbone interact. energy: -0.821
local terms energy: -77.295307
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -268.474027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.474027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.474027 (E_RNA)
where:
Base-Base interactions energy: -178.050
where: short stacking energy: -76.857
Base-Backbone interact. energy: -0.065
local terms energy: -90.359253
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -13.804
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: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -258.766144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.766144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.766144 (E_RNA)
where:
Base-Base interactions energy: -172.157
where: short stacking energy: -74.430
Base-Backbone interact. energy: -0.181
local terms energy: -86.428832
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -21.824
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: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -222.428415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.428415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.428415 (E_RNA)
where:
Base-Base interactions energy: -143.389
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.103
local terms energy: -78.936230
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -24.358
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: 129
Temperature: 1.250000
Total energy: -101.029817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.029817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.029817 (E_RNA)
where:
Base-Base interactions energy: -43.075
where: short stacking energy: -22.084
Base-Backbone interact. energy: 0.006
local terms energy: -57.961127
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -0.397
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -97.529876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.529876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.529876 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.409
local terms energy: -61.253973
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -90.750003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.750003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.750003 (E_RNA)
where:
Base-Base interactions energy: -39.446
where: short stacking energy: -22.434
Base-Backbone interact. energy: -0.827
local terms energy: -50.477505
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: 6.407
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: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -275.621850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.621850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.621850 (E_RNA)
where:
Base-Base interactions energy: -182.970
where: short stacking energy: -82.010
Base-Backbone interact. energy: -0.332
local terms energy: -92.320070
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -25.562
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: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -295.027499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.027499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.027499 (E_RNA)
where:
Base-Base interactions energy: -197.930
where: short stacking energy: -81.221
Base-Backbone interact. energy: -0.162
local terms energy: -96.935332
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -25.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -287.663424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.663424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.663424 (E_RNA)
where:
Base-Base interactions energy: -194.829
where: short stacking energy: -80.002
Base-Backbone interact. energy: -0.147
local terms energy: -92.687693
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -26.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -260.867614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.867614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.867614 (E_RNA)
where:
Base-Base interactions energy: -187.993
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.669
local terms energy: -72.205241
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -18.488
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: 130
Temperature: 1.100000
Total energy: -264.855040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.855040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.855040 (E_RNA)
where:
Base-Base interactions energy: -173.895
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.112
local terms energy: -90.848462
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -256.776487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.776487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.776487 (E_RNA)
where:
Base-Base interactions energy: -174.484
where: short stacking energy: -74.483
Base-Backbone interact. energy: -0.095
local terms energy: -82.197402
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -23.160
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: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -208.102829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.102829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.102829 (E_RNA)
where:
Base-Base interactions energy: -129.903
where: short stacking energy: -55.371
Base-Backbone interact. energy: -0.002
local terms energy: -78.198091
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -93.741517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.741517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.741517 (E_RNA)
where:
Base-Base interactions energy: -37.561
where: short stacking energy: -17.307
Base-Backbone interact. energy: -1.079
local terms energy: -55.100788
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: 4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -100.991309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.991309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.991309 (E_RNA)
where:
Base-Base interactions energy: -41.031
where: short stacking energy: -22.151
Base-Backbone interact. energy: 0.796
local terms energy: -60.755371
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -88.464212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.464212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.464212 (E_RNA)
where:
Base-Base interactions energy: -29.075
where: short stacking energy: -28.696
Base-Backbone interact. energy: -0.472
local terms energy: -58.917644
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -2.573
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: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -270.317541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.317541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.317541 (E_RNA)
where:
Base-Base interactions energy: -178.217
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.315
local terms energy: -91.785334
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -21.114
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: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -291.855727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.855727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.855727 (E_RNA)
where:
Base-Base interactions energy: -199.000
where: short stacking energy: -93.479
Base-Backbone interact. energy: -0.007
local terms energy: -92.848293
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -28.837
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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -292.972712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.972712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.972712 (E_RNA)
where:
Base-Base interactions energy: -209.573
where: short stacking energy: -86.859
Base-Backbone interact. energy: -0.111
local terms energy: -83.289124
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -25.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -276.525434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.525434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.525434 (E_RNA)
where:
Base-Base interactions energy: -190.429
where: short stacking energy: -68.318
Base-Backbone interact. energy: 0.955
local terms energy: -87.051462
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -269.506419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.506419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.506419 (E_RNA)
where:
Base-Base interactions energy: -177.550
where: short stacking energy: -76.712
Base-Backbone interact. energy: -0.133
local terms energy: -91.823875
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -24.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -262.796714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.796714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.796714 (E_RNA)
where:
Base-Base interactions energy: -181.475
where: short stacking energy: -69.077
Base-Backbone interact. energy: -0.028
local terms energy: -81.294276
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -209.369127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.369127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.369127 (E_RNA)
where:
Base-Base interactions energy: -139.368
where: short stacking energy: -52.320
Base-Backbone interact. energy: 0.193
local terms energy: -70.194178
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -11.024
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: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -109.671617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.671617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.671617 (E_RNA)
where:
Base-Base interactions energy: -44.447
where: short stacking energy: -40.073
Base-Backbone interact. energy: -0.025
local terms energy: -65.199748
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -99.372899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.372899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.372899 (E_RNA)
where:
Base-Base interactions energy: -40.782
where: short stacking energy: -40.782
Base-Backbone interact. energy: 2.365
local terms energy: -60.955608
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -95.744663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.744663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.744663 (E_RNA)
where:
Base-Base interactions energy: -40.357
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.881
local terms energy: -54.506919
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -289.491883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.491883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.491883 (E_RNA)
where:
Base-Base interactions energy: -195.223
where: short stacking energy: -93.390
Base-Backbone interact. energy: -0.003
local terms energy: -94.265727
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -29.171
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: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -271.804757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.804757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.804757 (E_RNA)
where:
Base-Base interactions energy: -184.693
where: short stacking energy: -69.940
Base-Backbone interact. energy: -0.573
local terms energy: -86.538535
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -22.176
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: 132
Temperature: 1.000000
Total energy: -295.517365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.517365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.517365 (E_RNA)
where:
Base-Base interactions energy: -205.296
where: short stacking energy: -85.739
Base-Backbone interact. energy: -0.095
local terms energy: -90.126935
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -24.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -271.170677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.170677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.170677 (E_RNA)
where:
Base-Base interactions energy: -193.501
where: short stacking energy: -70.323
Base-Backbone interact. energy: 0.211
local terms energy: -77.880211
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -16.172
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: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -278.461084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.461084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.461084 (E_RNA)
where:
Base-Base interactions energy: -189.714
where: short stacking energy: -75.535
Base-Backbone interact. energy: -0.045
local terms energy: -88.702240
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -237.395884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.395884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.395884 (E_RNA)
where:
Base-Base interactions energy: -152.110
where: short stacking energy: -69.985
Base-Backbone interact. energy: -0.110
local terms energy: -85.176233
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -202.966051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.966051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.966051 (E_RNA)
where:
Base-Base interactions energy: -126.773
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.177
local terms energy: -76.015803
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -102.491318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.491318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.491318 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.427
local terms energy: -66.503030
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -89.737748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.737748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.737748 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -31.716
Base-Backbone interact. energy: -0.097
local terms energy: -56.460652
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -89.637937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.637937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.637937 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.142
local terms energy: -57.710762
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -290.117772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.117772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.117772 (E_RNA)
where:
Base-Base interactions energy: -191.658
where: short stacking energy: -88.320
Base-Backbone interact. energy: -0.268
local terms energy: -98.190952
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -29.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -289.601531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.601531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.601531 (E_RNA)
where:
Base-Base interactions energy: -192.492
where: short stacking energy: -86.331
Base-Backbone interact. energy: -0.006
local terms energy: -97.103013
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -26.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -264.595667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.595667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.595667 (E_RNA)
where:
Base-Base interactions energy: -184.649
where: short stacking energy: -72.762
Base-Backbone interact. energy: -0.461
local terms energy: -79.485946
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -18.672
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: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -286.760149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.760149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.760149 (E_RNA)
where:
Base-Base interactions energy: -196.122
where: short stacking energy: -85.312
Base-Backbone interact. energy: -0.087
local terms energy: -90.551411
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -27.954
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -261.973254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.973254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.973254 (E_RNA)
where:
Base-Base interactions energy: -184.985
where: short stacking energy: -68.683
Base-Backbone interact. energy: 1.282
local terms energy: -78.269965
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -220.165445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.165445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.165445 (E_RNA)
where:
Base-Base interactions energy: -144.556
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.040
local terms energy: -75.570044
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -240.779757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.779757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.779757 (E_RNA)
where:
Base-Base interactions energy: -164.654
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.942
local terms energy: -75.184122
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -94.995554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.995554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.995554 (E_RNA)
where:
Base-Base interactions energy: -31.440
where: short stacking energy: -24.089
Base-Backbone interact. energy: -1.373
local terms energy: -62.182236
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: 5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -107.284171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.284171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.284171 (E_RNA)
where:
Base-Base interactions energy: -55.706
where: short stacking energy: -37.860
Base-Backbone interact. energy: -0.458
local terms energy: -51.119754
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -105.072857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.072857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.072857 (E_RNA)
where:
Base-Base interactions energy: -43.349
where: short stacking energy: -26.005
Base-Backbone interact. energy: -0.391
local terms energy: -61.333041
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -301.765967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.765967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.765967 (E_RNA)
where:
Base-Base interactions energy: -202.178
where: short stacking energy: -94.942
Base-Backbone interact. energy: -0.172
local terms energy: -99.415713
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -28.708
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: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -283.635638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.635638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.635638 (E_RNA)
where:
Base-Base interactions energy: -191.738
where: short stacking energy: -89.959
Base-Backbone interact. energy: -0.287
local terms energy: -91.610262
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -29.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -276.410184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.410184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.410184 (E_RNA)
where:
Base-Base interactions energy: -187.165
where: short stacking energy: -81.671
Base-Backbone interact. energy: -0.109
local terms energy: -89.136676
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -25.509
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: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -248.580846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.580846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.580846 (E_RNA)
where:
Base-Base interactions energy: -162.676
where: short stacking energy: -74.046
Base-Backbone interact. energy: -0.555
local terms energy: -85.350441
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -22.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -269.559954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.559954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.559954 (E_RNA)
where:
Base-Base interactions energy: -190.242
where: short stacking energy: -68.915
Base-Backbone interact. energy: 0.494
local terms energy: -79.812879
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -12.342
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: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -232.150875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.150875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.150875 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -74.528
Base-Backbone interact. energy: -0.018
local terms energy: -81.719857
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -24.023
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: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -241.424462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.424462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.424462 (E_RNA)
where:
Base-Base interactions energy: -164.647
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.079
local terms energy: -76.698212
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -98.075531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.075531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.075531 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -21.782
Base-Backbone interact. energy: -1.467
local terms energy: -65.840664
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -8.534
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: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -90.104725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.104725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.104725 (E_RNA)
where:
Base-Base interactions energy: -30.646
where: short stacking energy: -27.855
Base-Backbone interact. energy: -0.143
local terms energy: -59.315477
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -0.549
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: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -97.730008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.730008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.730008 (E_RNA)
where:
Base-Base interactions energy: -38.443
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.273
local terms energy: -59.014097
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -298.299068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.299068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.299068 (E_RNA)
where:
Base-Base interactions energy: -201.389
where: short stacking energy: -88.385
Base-Backbone interact. energy: -0.038
local terms energy: -96.871892
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -25.157
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: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -288.991885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.991885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.991885 (E_RNA)
where:
Base-Base interactions energy: -190.167
where: short stacking energy: -83.113
Base-Backbone interact. energy: -0.110
local terms energy: -98.714845
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -13.504
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: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -281.326616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.326616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.326616 (E_RNA)
where:
Base-Base interactions energy: -189.140
where: short stacking energy: -86.263
Base-Backbone interact. energy: -1.993
local terms energy: -90.193837
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -26.655
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: 135
Temperature: 1.050000
Total energy: -264.697032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.697032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.697032 (E_RNA)
where:
Base-Base interactions energy: -185.047
where: short stacking energy: -76.816
Base-Backbone interact. energy: 2.581
local terms energy: -82.231465
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -20.297
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: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -269.715421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.715421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.715421 (E_RNA)
where:
Base-Base interactions energy: -180.147
where: short stacking energy: -72.951
Base-Backbone interact. energy: -0.106
local terms energy: -89.462207
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -221.303864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.303864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.303864 (E_RNA)
where:
Base-Base interactions energy: -145.167
where: short stacking energy: -65.528
Base-Backbone interact. energy: -0.143
local terms energy: -75.993388
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -19.724
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: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -202.214806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.214806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.214806 (E_RNA)
where:
Base-Base interactions energy: -130.557
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.888
local terms energy: -70.769893
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -95.665231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.665231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.665231 (E_RNA)
where:
Base-Base interactions energy: -28.774
where: short stacking energy: -28.774
Base-Backbone interact. energy: -0.099
local terms energy: -66.792287
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -89.640999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.640999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.640999 (E_RNA)
where:
Base-Base interactions energy: -38.079
where: short stacking energy: -31.139
Base-Backbone interact. energy: -0.149
local terms energy: -51.413111
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -3.695
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: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -91.315004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.315004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.315004 (E_RNA)
where:
Base-Base interactions energy: -38.700
where: short stacking energy: -26.477
Base-Backbone interact. energy: -0.306
local terms energy: -52.309607
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: 2.086
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: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -313.225368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.225368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.225368 (E_RNA)
where:
Base-Base interactions energy: -216.060
where: short stacking energy: -90.851
Base-Backbone interact. energy: -0.104
local terms energy: -97.061517
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -14.033
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: 136
Temperature: 0.950000
Total energy: -281.176684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.176684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.176684 (E_RNA)
where:
Base-Base interactions energy: -186.951
where: short stacking energy: -81.697
Base-Backbone interact. energy: -0.190
local terms energy: -94.035111
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -24.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -292.675540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.675540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.675540 (E_RNA)
where:
Base-Base interactions energy: -204.528
where: short stacking energy: -76.226
Base-Backbone interact. energy: -0.307
local terms energy: -87.841067
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -276.956140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.956140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.956140 (E_RNA)
where:
Base-Base interactions energy: -190.078
where: short stacking energy: -82.749
Base-Backbone interact. energy: -0.097
local terms energy: -86.781504
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -11.837
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: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -223.415308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.415308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.415308 (E_RNA)
where:
Base-Base interactions energy: -153.601
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.100
local terms energy: -69.714110
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -268.726170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.726170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.726170 (E_RNA)
where:
Base-Base interactions energy: -183.064
where: short stacking energy: -74.909
Base-Backbone interact. energy: -1.446
local terms energy: -84.216424
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -222.044865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.044865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.044865 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.258
local terms energy: -77.821355
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -116.018825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.018825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.018825 (E_RNA)
where:
Base-Base interactions energy: -41.858
where: short stacking energy: -41.858
Base-Backbone interact. energy: 1.116
local terms energy: -75.277152
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -85.624147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.624147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.624147 (E_RNA)
where:
Base-Base interactions energy: -33.430
where: short stacking energy: -26.360
Base-Backbone interact. energy: 0.376
local terms energy: -52.570287
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -10.318
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: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -97.637739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.637739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.637739 (E_RNA)
where:
Base-Base interactions energy: -44.062
where: short stacking energy: -27.488
Base-Backbone interact. energy: -1.098
local terms energy: -52.476961
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -1.759
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: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -294.927892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.927892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.927892 (E_RNA)
where:
Base-Base interactions energy: -197.612
where: short stacking energy: -85.075
Base-Backbone interact. energy: -0.027
local terms energy: -97.289469
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -284.323438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.323438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.323438 (E_RNA)
where:
Base-Base interactions energy: -198.675
where: short stacking energy: -81.737
Base-Backbone interact. energy: 0.181
local terms energy: -85.828967
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -280.332037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.332037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.332037 (E_RNA)
where:
Base-Base interactions energy: -191.690
where: short stacking energy: -77.087
Base-Backbone interact. energy: -0.089
local terms energy: -88.552898
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -253.638520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.638520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.638520 (E_RNA)
where:
Base-Base interactions energy: -174.863
where: short stacking energy: -70.470
Base-Backbone interact. energy: -0.361
local terms energy: -78.414153
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -19.876
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: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -266.362676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.362676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.362676 (E_RNA)
where:
Base-Base interactions energy: -173.248
where: short stacking energy: -84.438
Base-Backbone interact. energy: 0.042
local terms energy: -93.156619
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -14.429
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: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -236.285549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.285549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.285549 (E_RNA)
where:
Base-Base interactions energy: -152.840
where: short stacking energy: -62.972
Base-Backbone interact. energy: 0.484
local terms energy: -83.930455
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -19.384
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: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -216.755780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.755780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.755780 (E_RNA)
where:
Base-Base interactions energy: -137.583
where: short stacking energy: -66.085
Base-Backbone interact. energy: 0.833
local terms energy: -80.005435
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -17.035
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: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -103.615479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.615479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.615479 (E_RNA)
where:
Base-Base interactions energy: -46.200
where: short stacking energy: -36.221
Base-Backbone interact. energy: 2.146
local terms energy: -59.560804
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -14.346
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: 9, replica: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -106.935365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.935365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.935365 (E_RNA)
where:
Base-Base interactions energy: -39.164
where: short stacking energy: -38.048
Base-Backbone interact. energy: -0.640
local terms energy: -67.131254
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -86.350269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.350269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.350269 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -20.992
Base-Backbone interact. energy: -0.899
local terms energy: -46.627786
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: 7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -300.192511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.192511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.192511 (E_RNA)
where:
Base-Base interactions energy: -212.939
where: short stacking energy: -79.702
Base-Backbone interact. energy: -0.058
local terms energy: -87.196172
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -21.688
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: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -301.578512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.578512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.578512 (E_RNA)
where:
Base-Base interactions energy: -198.414
where: short stacking energy: -89.555
Base-Backbone interact. energy: -0.062
local terms energy: -103.102744
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -26.530
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: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -283.098382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.098382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.098382 (E_RNA)
where:
Base-Base interactions energy: -191.140
where: short stacking energy: -88.514
Base-Backbone interact. energy: -0.032
local terms energy: -91.926175
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -251.609823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.609823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.609823 (E_RNA)
where:
Base-Base interactions energy: -162.970
where: short stacking energy: -71.921
Base-Backbone interact. energy: -0.190
local terms energy: -88.449279
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -253.421950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.421950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.421950 (E_RNA)
where:
Base-Base interactions energy: -171.192
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.017
local terms energy: -82.213049
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -23.525
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: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -232.122155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.122155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.122155 (E_RNA)
where:
Base-Base interactions energy: -151.854
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.004
local terms energy: -80.263556
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -226.903103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.903103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.903103 (E_RNA)
where:
Base-Base interactions energy: -160.805
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.838
local terms energy: -65.259484
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -10.730
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: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -103.266158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.266158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.266158 (E_RNA)
where:
Base-Base interactions energy: -40.038
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.753
local terms energy: -62.475497
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -107.129304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.129304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.129304 (E_RNA)
where:
Base-Base interactions energy: -42.396
where: short stacking energy: -32.355
Base-Backbone interact. energy: -0.491
local terms energy: -64.242090
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -83.536898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.536898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.536898 (E_RNA)
where:
Base-Base interactions energy: -22.633
where: short stacking energy: -12.845
Base-Backbone interact. energy: -0.240
local terms energy: -60.664319
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: 2.553
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: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -289.259716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.259716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.259716 (E_RNA)
where:
Base-Base interactions energy: -201.998
where: short stacking energy: -83.142
Base-Backbone interact. energy: -0.423
local terms energy: -86.839506
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -9.649
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: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -283.226060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.226060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.226060 (E_RNA)
where:
Base-Base interactions energy: -190.360
where: short stacking energy: -76.604
Base-Backbone interact. energy: -0.054
local terms energy: -92.811828
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -285.332197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.332197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.332197 (E_RNA)
where:
Base-Base interactions energy: -199.443
where: short stacking energy: -80.867
Base-Backbone interact. energy: -0.043
local terms energy: -85.845725
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -275.668913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.668913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.668913 (E_RNA)
where:
Base-Base interactions energy: -193.308
where: short stacking energy: -76.092
Base-Backbone interact. energy: -0.004
local terms energy: -82.356993
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -242.874348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.874348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.874348 (E_RNA)
where:
Base-Base interactions energy: -155.120
where: short stacking energy: -68.146
Base-Backbone interact. energy: -0.078
local terms energy: -87.675990
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -19.104
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: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -216.287615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.287615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.287615 (E_RNA)
where:
Base-Base interactions energy: -143.263
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.135
local terms energy: -72.888882
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -240.031425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.031425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.031425 (E_RNA)
where:
Base-Base interactions energy: -160.617
where: short stacking energy: -68.943
Base-Backbone interact. energy: 0.605
local terms energy: -80.019481
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -99.625361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.625361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.625361 (E_RNA)
where:
Base-Base interactions energy: -38.211
where: short stacking energy: -24.794
Base-Backbone interact. energy: -0.165
local terms energy: -61.249289
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -5.566
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: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -95.013648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.013648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.013648 (E_RNA)
where:
Base-Base interactions energy: -39.722
where: short stacking energy: -39.029
Base-Backbone interact. energy: -1.499
local terms energy: -53.792462
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -88.318806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.318806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.318806 (E_RNA)
where:
Base-Base interactions energy: -30.102
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.089
local terms energy: -58.128115
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.163
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: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -303.505985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.505985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.505985 (E_RNA)
where:
Base-Base interactions energy: -213.740
where: short stacking energy: -73.945
Base-Backbone interact. energy: 1.042
local terms energy: -90.807377
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -283.924790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.924790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.924790 (E_RNA)
where:
Base-Base interactions energy: -184.382
where: short stacking energy: -78.384
Base-Backbone interact. energy: -0.806
local terms energy: -98.737031
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -11.530
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: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -289.570537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.570537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.570537 (E_RNA)
where:
Base-Base interactions energy: -194.496
where: short stacking energy: -78.655
Base-Backbone interact. energy: -0.090
local terms energy: -94.983750
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -25.297
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: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -272.628454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.628454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.628454 (E_RNA)
where:
Base-Base interactions energy: -185.773
where: short stacking energy: -87.028
Base-Backbone interact. energy: 0.655
local terms energy: -87.510376
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -9.768
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: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -226.017252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.017252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.017252 (E_RNA)
where:
Base-Base interactions energy: -150.890
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.517
local terms energy: -74.611007
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -23.155
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -246.619514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.619514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.619514 (E_RNA)
where:
Base-Base interactions energy: -169.813
where: short stacking energy: -71.829
Base-Backbone interact. energy: -0.023
local terms energy: -76.784387
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -12.367
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: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -234.059765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.059765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.059765 (E_RNA)
where:
Base-Base interactions energy: -164.002
where: short stacking energy: -76.640
Base-Backbone interact. energy: -0.770
local terms energy: -69.287636
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -16.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -104.401740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.401740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.401740 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -36.074
Base-Backbone interact. energy: -0.160
local terms energy: -68.167518
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -92.607863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.607863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.607863 (E_RNA)
where:
Base-Base interactions energy: -42.938
where: short stacking energy: -17.193
Base-Backbone interact. energy: -1.328
local terms energy: -48.341749
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: 2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -92.999323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.999323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.999323 (E_RNA)
where:
Base-Base interactions energy: -40.496
where: short stacking energy: -27.489
Base-Backbone interact. energy: 0.466
local terms energy: -52.969641
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -1.713
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: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -309.630645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.630645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.630645 (E_RNA)
where:
Base-Base interactions energy: -219.298
where: short stacking energy: -79.116
Base-Backbone interact. energy: -0.510
local terms energy: -89.821903
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -13.244
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: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -279.577828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.577828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.577828 (E_RNA)
where:
Base-Base interactions energy: -189.749
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.062
local terms energy: -89.767285
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -20.098
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: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -285.726777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.726777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.726777 (E_RNA)
where:
Base-Base interactions energy: -202.174
where: short stacking energy: -76.807
Base-Backbone interact. energy: 0.025
local terms energy: -83.577713
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -280.085089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.085089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.085089 (E_RNA)
where:
Base-Base interactions energy: -191.579
where: short stacking energy: -70.661
Base-Backbone interact. energy: -0.558
local terms energy: -87.948223
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -25.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -225.728852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.728852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.728852 (E_RNA)
where:
Base-Base interactions energy: -138.077
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.010
local terms energy: -87.641789
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -10.908
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: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -239.282321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.282321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.282321 (E_RNA)
where:
Base-Base interactions energy: -158.523
where: short stacking energy: -63.450
Base-Backbone interact. energy: -0.099
local terms energy: -80.660291
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -243.252613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.252613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.252613 (E_RNA)
where:
Base-Base interactions energy: -165.476
where: short stacking energy: -68.342
Base-Backbone interact. energy: -0.265
local terms energy: -77.512165
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -96.677562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.677562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.677562 (E_RNA)
where:
Base-Base interactions energy: -48.536
where: short stacking energy: -32.951
Base-Backbone interact. energy: 1.128
local terms energy: -49.268810
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -3.195
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -85.754848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.754848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.754848 (E_RNA)
where:
Base-Base interactions energy: -26.795
where: short stacking energy: -20.415
Base-Backbone interact. energy: -0.359
local terms energy: -58.601290
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: 1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -101.133458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.133458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.133458 (E_RNA)
where:
Base-Base interactions energy: -46.543
where: short stacking energy: -38.745
Base-Backbone interact. energy: -0.182
local terms energy: -54.408563
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -2.719
tors. eta vs tors. theta energy: -8.309
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: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -308.033351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.033351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.033351 (E_RNA)
where:
Base-Base interactions energy: -214.047
where: short stacking energy: -79.453
Base-Backbone interact. energy: -0.362
local terms energy: -93.623893
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -25.780
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: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -276.477236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.477236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.477236 (E_RNA)
where:
Base-Base interactions energy: -185.529
where: short stacking energy: -79.788
Base-Backbone interact. energy: -0.117
local terms energy: -90.831262
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -24.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -288.224818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.224818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.224818 (E_RNA)
where:
Base-Base interactions energy: -196.244
where: short stacking energy: -86.779
Base-Backbone interact. energy: -0.323
local terms energy: -91.657437
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -26.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -272.691410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.691410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.691410 (E_RNA)
where:
Base-Base interactions energy: -192.152
where: short stacking energy: -78.898
Base-Backbone interact. energy: -0.125
local terms energy: -80.413615
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -239.402421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.402421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.402421 (E_RNA)
where:
Base-Base interactions energy: -157.852
where: short stacking energy: -79.793
Base-Backbone interact. energy: -0.105
local terms energy: -81.445828
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -219.044918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.044918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.044918 (E_RNA)
where:
Base-Base interactions energy: -149.253
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.133
local terms energy: -69.658809
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -9.120
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: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -241.570368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.570368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.570368 (E_RNA)
where:
Base-Base interactions energy: -160.901
where: short stacking energy: -66.974
Base-Backbone interact. energy: -0.216
local terms energy: -80.452705
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -18.091
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: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -108.873556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.873556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.873556 (E_RNA)
where:
Base-Base interactions energy: -43.725
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.210
local terms energy: -64.938187
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -94.498943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.498943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.498943 (E_RNA)
where:
Base-Base interactions energy: -34.343
where: short stacking energy: -33.793
Base-Backbone interact. energy: -1.421
local terms energy: -58.735364
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -5.191
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: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -90.975017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.975017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.975017 (E_RNA)
where:
Base-Base interactions energy: -25.603
where: short stacking energy: -22.592
Base-Backbone interact. energy: -0.293
local terms energy: -65.078886
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.035
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: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -307.076211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.076211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.076211 (E_RNA)
where:
Base-Base interactions energy: -209.954
where: short stacking energy: -80.055
Base-Backbone interact. energy: -0.180
local terms energy: -96.941698
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -25.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -288.174946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.174946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.174946 (E_RNA)
where:
Base-Base interactions energy: -199.128
where: short stacking energy: -86.188
Base-Backbone interact. energy: -0.030
local terms energy: -89.017368
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -26.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -256.489969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.489969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.489969 (E_RNA)
where:
Base-Base interactions energy: -167.585
where: short stacking energy: -71.888
Base-Backbone interact. energy: 0.478
local terms energy: -89.382635
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -259.565185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.565185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.565185 (E_RNA)
where:
Base-Base interactions energy: -169.903
where: short stacking energy: -79.731
Base-Backbone interact. energy: 0.174
local terms energy: -89.836568
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -264.353661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.353661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.353661 (E_RNA)
where:
Base-Base interactions energy: -175.044
where: short stacking energy: -71.582
Base-Backbone interact. energy: -0.056
local terms energy: -89.253455
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -9.498
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: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -237.751325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.751325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.751325 (E_RNA)
where:
Base-Base interactions energy: -163.833
where: short stacking energy: -65.490
Base-Backbone interact. energy: -0.235
local terms energy: -73.684120
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -208.076843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.076843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.076843 (E_RNA)
where:
Base-Base interactions energy: -142.252
where: short stacking energy: -51.173
Base-Backbone interact. energy: -0.031
local terms energy: -65.793553
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -104.895375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.895375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.895375 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -32.614
Base-Backbone interact. energy: -0.068
local terms energy: -65.017475
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -7.793
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: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -102.802957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.802957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.802957 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -32.167
Base-Backbone interact. energy: -0.278
local terms energy: -66.442381
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -88.650387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.650387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.650387 (E_RNA)
where:
Base-Base interactions energy: -30.099
where: short stacking energy: -24.522
Base-Backbone interact. energy: -0.010
local terms energy: -58.540797
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -311.565982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.565982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.565982 (E_RNA)
where:
Base-Base interactions energy: -216.776
where: short stacking energy: -85.446
Base-Backbone interact. energy: 0.214
local terms energy: -95.003836
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -26.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -309.999395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.999395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.999395 (E_RNA)
where:
Base-Base interactions energy: -215.954
where: short stacking energy: -81.300
Base-Backbone interact. energy: 1.167
local terms energy: -95.212359
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -14.291
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: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -262.766173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.766173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.766173 (E_RNA)
where:
Base-Base interactions energy: -181.444
where: short stacking energy: -75.904
Base-Backbone interact. energy: -0.225
local terms energy: -81.096917
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -255.390961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.390961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.390961 (E_RNA)
where:
Base-Base interactions energy: -182.977
where: short stacking energy: -74.165
Base-Backbone interact. energy: -0.116
local terms energy: -72.298029
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -19.484
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: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -250.481878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.481878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.481878 (E_RNA)
where:
Base-Base interactions energy: -165.981
where: short stacking energy: -74.636
Base-Backbone interact. energy: -0.405
local terms energy: -84.095758
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -262.472820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.472820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.472820 (E_RNA)
where:
Base-Base interactions energy: -174.344
where: short stacking energy: -76.973
Base-Backbone interact. energy: -0.123
local terms energy: -88.005503
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -205.998715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.998715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.998715 (E_RNA)
where:
Base-Base interactions energy: -130.898
where: short stacking energy: -51.938
Base-Backbone interact. energy: -0.943
local terms energy: -74.157305
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -88.296357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.296357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.296357 (E_RNA)
where:
Base-Base interactions energy: -22.108
where: short stacking energy: -22.108
Base-Backbone interact. energy: -0.066
local terms energy: -66.122405
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -7.858
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: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -106.454720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.454720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.454720 (E_RNA)
where:
Base-Base interactions energy: -46.714
where: short stacking energy: -34.250
Base-Backbone interact. energy: -0.002
local terms energy: -59.738135
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -89.511328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.511328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.511328 (E_RNA)
where:
Base-Base interactions energy: -26.034
where: short stacking energy: -26.034
Base-Backbone interact. energy: -0.242
local terms energy: -63.235115
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -295.777732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.777732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.777732 (E_RNA)
where:
Base-Base interactions energy: -214.417
where: short stacking energy: -78.446
Base-Backbone interact. energy: -0.989
local terms energy: -80.372522
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -14.131
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: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -291.181857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.181857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.181857 (E_RNA)
where:
Base-Base interactions energy: -199.959
where: short stacking energy: -88.581
Base-Backbone interact. energy: 0.439
local terms energy: -91.662103
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -11.378
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: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -277.987023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.987023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.987023 (E_RNA)
where:
Base-Base interactions energy: -195.075
where: short stacking energy: -78.441
Base-Backbone interact. energy: -0.046
local terms energy: -82.865849
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.238
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: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -276.296761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.296761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.296761 (E_RNA)
where:
Base-Base interactions energy: -187.524
where: short stacking energy: -88.369
Base-Backbone interact. energy: 0.430
local terms energy: -89.202756
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -263.392043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.392043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.392043 (E_RNA)
where:
Base-Base interactions energy: -175.275
where: short stacking energy: -80.743
Base-Backbone interact. energy: -0.154
local terms energy: -87.963260
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -13.412
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: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -241.956020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.956020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.956020 (E_RNA)
where:
Base-Base interactions energy: -154.123
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.361
local terms energy: -87.472210
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -13.105
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: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -215.954910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.954910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.954910 (E_RNA)
where:
Base-Base interactions energy: -134.556
where: short stacking energy: -65.321
Base-Backbone interact. energy: -0.910
local terms energy: -80.488671
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -16.871
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: 145
Temperature: 1.250000
Total energy: -120.359225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.359225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.359225 (E_RNA)
where:
Base-Base interactions energy: -50.935
where: short stacking energy: -47.889
Base-Backbone interact. energy: -0.526
local terms energy: -68.897714
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -9.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -82.006003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.006003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.006003 (E_RNA)
where:
Base-Base interactions energy: -31.325
where: short stacking energy: -23.616
Base-Backbone interact. energy: 0.947
local terms energy: -51.628396
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: 4.734
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: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -85.840899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.840899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.840899 (E_RNA)
where:
Base-Base interactions energy: -29.959
where: short stacking energy: -29.912
Base-Backbone interact. energy: 0.681
local terms energy: -56.562365
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -7.492
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: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -305.293080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.293080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.293080 (E_RNA)
where:
Base-Base interactions energy: -206.955
where: short stacking energy: -91.342
Base-Backbone interact. energy: -0.416
local terms energy: -97.921477
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -26.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -289.215989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.215989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.215989 (E_RNA)
where:
Base-Base interactions energy: -195.440
where: short stacking energy: -69.807
Base-Backbone interact. energy: -0.222
local terms energy: -93.554730
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -281.626569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.626569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.626569 (E_RNA)
where:
Base-Base interactions energy: -190.597
where: short stacking energy: -84.581
Base-Backbone interact. energy: -0.014
local terms energy: -91.015657
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -24.457
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: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -271.541876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.541876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.541876 (E_RNA)
where:
Base-Base interactions energy: -182.552
where: short stacking energy: -82.900
Base-Backbone interact. energy: -0.116
local terms energy: -88.873988
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -26.404
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: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -247.185708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.185708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.185708 (E_RNA)
where:
Base-Base interactions energy: -168.759
where: short stacking energy: -78.723
Base-Backbone interact. energy: 0.129
local terms energy: -78.555901
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -22.309
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: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -237.788732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.788732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.788732 (E_RNA)
where:
Base-Base interactions energy: -160.247
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.126
local terms energy: -77.416252
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -208.613007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.613007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.613007 (E_RNA)
where:
Base-Base interactions energy: -136.057
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.057
local terms energy: -72.499022
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -97.661312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.661312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.661312 (E_RNA)
where:
Base-Base interactions energy: -40.264
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.581
local terms energy: -56.816309
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -0.188
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: 146
Temperature: 1.300000
Total energy: -100.298105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.298105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.298105 (E_RNA)
where:
Base-Base interactions energy: -33.235
where: short stacking energy: -20.268
Base-Backbone interact. energy: -0.125
local terms energy: -66.937956
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -87.443234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.443234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.443234 (E_RNA)
where:
Base-Base interactions energy: -27.955
where: short stacking energy: -24.895
Base-Backbone interact. energy: -0.279
local terms energy: -59.209562
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -7.261
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: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -301.171643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.171643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.171643 (E_RNA)
where:
Base-Base interactions energy: -211.448
where: short stacking energy: -81.670
Base-Backbone interact. energy: -0.004
local terms energy: -89.719483
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -15.440
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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -286.285781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.285781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.285781 (E_RNA)
where:
Base-Base interactions energy: -191.378
where: short stacking energy: -77.592
Base-Backbone interact. energy: -0.304
local terms energy: -94.603431
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -278.598541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.598541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.598541 (E_RNA)
where:
Base-Base interactions energy: -178.348
where: short stacking energy: -88.357
Base-Backbone interact. energy: -0.001
local terms energy: -100.249448
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -274.487222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.487222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.487222 (E_RNA)
where:
Base-Base interactions energy: -180.234
where: short stacking energy: -81.825
Base-Backbone interact. energy: -0.604
local terms energy: -93.649093
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -238.732336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.732336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.732336 (E_RNA)
where:
Base-Base interactions energy: -153.092
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.233
local terms energy: -85.407263
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -18.658
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: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -235.460423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.460423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.460423 (E_RNA)
where:
Base-Base interactions energy: -160.518
where: short stacking energy: -69.927
Base-Backbone interact. energy: 0.998
local terms energy: -75.941025
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -211.970270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.970270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970270 (E_RNA)
where:
Base-Base interactions energy: -131.910
where: short stacking energy: -52.989
Base-Backbone interact. energy: 0.051
local terms energy: -80.111620
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -108.487481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.487481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.487481 (E_RNA)
where:
Base-Base interactions energy: -35.995
where: short stacking energy: -35.683
Base-Backbone interact. energy: -0.098
local terms energy: -72.393863
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -13.634
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: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -116.929686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.929686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.929686 (E_RNA)
where:
Base-Base interactions energy: -48.441
where: short stacking energy: -26.874
Base-Backbone interact. energy: -0.116
local terms energy: -68.372943
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -124.869888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.869888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.869888 (E_RNA)
where:
Base-Base interactions energy: -71.157
where: short stacking energy: -26.061
Base-Backbone interact. energy: -0.332
local terms energy: -53.381603
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -285.760310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.760310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.760310 (E_RNA)
where:
Base-Base interactions energy: -194.236
where: short stacking energy: -83.439
Base-Backbone interact. energy: -0.038
local terms energy: -91.486080
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -23.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -285.856593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.856593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.856593 (E_RNA)
where:
Base-Base interactions energy: -196.015
where: short stacking energy: -76.668
Base-Backbone interact. energy: 0.454
local terms energy: -90.295423
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -277.432352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.432352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.432352 (E_RNA)
where:
Base-Base interactions energy: -181.205
where: short stacking energy: -83.973
Base-Backbone interact. energy: 1.303
local terms energy: -97.530946
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -27.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -274.999531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.999531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.999531 (E_RNA)
where:
Base-Base interactions energy: -185.482
where: short stacking energy: -77.578
Base-Backbone interact. energy: -0.225
local terms energy: -89.292197
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -250.734463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.734463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.734463 (E_RNA)
where:
Base-Base interactions energy: -174.671
where: short stacking energy: -82.406
Base-Backbone interact. energy: 0.033
local terms energy: -76.096734
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -253.249881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.249881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.249881 (E_RNA)
where:
Base-Base interactions energy: -173.247
where: short stacking energy: -72.161
Base-Backbone interact. energy: -0.019
local terms energy: -79.983999
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -17.699
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: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -197.488012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.488012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.488012 (E_RNA)
where:
Base-Base interactions energy: -122.346
where: short stacking energy: -54.974
Base-Backbone interact. energy: 0.047
local terms energy: -75.188918
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -100.827148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.827148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.827148 (E_RNA)
where:
Base-Base interactions energy: -47.419
where: short stacking energy: -32.923
Base-Backbone interact. energy: -0.307
local terms energy: -53.100832
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -101.269407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.269407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.269407 (E_RNA)
where:
Base-Base interactions energy: -40.315
where: short stacking energy: -28.529
Base-Backbone interact. energy: -1.450
local terms energy: -59.503847
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: 2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -91.611570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.611570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.611570 (E_RNA)
where:
Base-Base interactions energy: -39.021
where: short stacking energy: -34.367
Base-Backbone interact. energy: 0.271
local terms energy: -52.860835
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: 1.650
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: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -285.186679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.186679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.186679 (E_RNA)
where:
Base-Base interactions energy: -188.345
where: short stacking energy: -80.767
Base-Backbone interact. energy: -0.077
local terms energy: -96.764785
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -27.785
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: 149
Temperature: 0.950000
Total energy: -296.107507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.107507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.107507 (E_RNA)
where:
Base-Base interactions energy: -207.509
where: short stacking energy: -82.981
Base-Backbone interact. energy: -0.291
local terms energy: -88.307009
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -273.543131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.543131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.543131 (E_RNA)
where:
Base-Base interactions energy: -187.292
where: short stacking energy: -90.887
Base-Backbone interact. energy: -0.000
local terms energy: -86.251224
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -25.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -273.912290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.912290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.912290 (E_RNA)
where:
Base-Base interactions energy: -177.660
where: short stacking energy: -86.788
Base-Backbone interact. energy: -0.003
local terms energy: -96.249612
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -16.286
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: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -291.054087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.054087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.054087 (E_RNA)
where:
Base-Base interactions energy: -197.326
where: short stacking energy: -87.943
Base-Backbone interact. energy: -0.043
local terms energy: -93.684464
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -12.755
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: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -202.629127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.629127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.629127 (E_RNA)
where:
Base-Base interactions energy: -133.171
where: short stacking energy: -61.704
Base-Backbone interact. energy: 1.260
local terms energy: -70.717869
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -251.386436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.386436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.386436 (E_RNA)
where:
Base-Base interactions energy: -174.257
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.156
local terms energy: -76.973407
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -14.939
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: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -107.269893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.269893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.269893 (E_RNA)
where:
Base-Base interactions energy: -53.441
where: short stacking energy: -24.923
Base-Backbone interact. energy: -1.024
local terms energy: -52.804419
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -97.871239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.871239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.871239 (E_RNA)
where:
Base-Base interactions energy: -36.289
where: short stacking energy: -36.289
Base-Backbone interact. energy: -0.034
local terms energy: -61.547870
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -7.680
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: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -85.150237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.150237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.150237 (E_RNA)
where:
Base-Base interactions energy: -29.475
where: short stacking energy: -25.358
Base-Backbone interact. energy: -0.561
local terms energy: -55.115005
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -308.556599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.556599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.556599 (E_RNA)
where:
Base-Base interactions energy: -215.204
where: short stacking energy: -82.111
Base-Backbone interact. energy: 1.059
local terms energy: -94.411934
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -283.784687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.784687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.784687 (E_RNA)
where:
Base-Base interactions energy: -189.466
where: short stacking energy: -84.142
Base-Backbone interact. energy: -0.029
local terms energy: -94.288995
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -14.174
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: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -289.595971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.595971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.595971 (E_RNA)
where:
Base-Base interactions energy: -197.807
where: short stacking energy: -79.467
Base-Backbone interact. energy: -0.090
local terms energy: -91.699127
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -12.332
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: 150
Temperature: 1.050000
Total energy: -276.530039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.530039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.530039 (E_RNA)
where:
Base-Base interactions energy: -181.143
where: short stacking energy: -86.735
Base-Backbone interact. energy: -0.001
local terms energy: -95.386171
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -27.520
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: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -273.929138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.929138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.929138 (E_RNA)
where:
Base-Base interactions energy: -181.798
where: short stacking energy: -68.195
Base-Backbone interact. energy: -0.126
local terms energy: -92.005712
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -220.920190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.920190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.920190 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -62.699
Base-Backbone interact. energy: 0.120
local terms energy: -67.909669
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -243.094837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.094837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.094837 (E_RNA)
where:
Base-Base interactions energy: -170.425
where: short stacking energy: -75.597
Base-Backbone interact. energy: -0.039
local terms energy: -72.631622
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -108.043255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.043255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.043255 (E_RNA)
where:
Base-Base interactions energy: -54.065
where: short stacking energy: -41.137
Base-Backbone interact. energy: -0.174
local terms energy: -53.803651
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -4.846
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: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -93.459727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.459727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.459727 (E_RNA)
where:
Base-Base interactions energy: -42.062
where: short stacking energy: -28.677
Base-Backbone interact. energy: 0.199
local terms energy: -51.596331
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -7.494
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: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -95.427140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.427140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.427140 (E_RNA)
where:
Base-Base interactions energy: -26.584
where: short stacking energy: -26.584
Base-Backbone interact. energy: -0.378
local terms energy: -68.464658
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -296.967893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.967893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.967893 (E_RNA)
where:
Base-Base interactions energy: -211.988
where: short stacking energy: -81.243
Base-Backbone interact. energy: 0.563
local terms energy: -85.542846
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -286.067451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.067451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.067451 (E_RNA)
where:
Base-Base interactions energy: -194.267
where: short stacking energy: -83.289
Base-Backbone interact. energy: -0.215
local terms energy: -91.585714
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -23.440
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: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -285.474786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.474786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.474786 (E_RNA)
where:
Base-Base interactions energy: -198.778
where: short stacking energy: -79.628
Base-Backbone interact. energy: -0.277
local terms energy: -86.419361
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -277.481834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.481834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.481834 (E_RNA)
where:
Base-Base interactions energy: -186.659
where: short stacking energy: -85.625
Base-Backbone interact. energy: -0.034
local terms energy: -90.788576
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -270.222559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.222559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.222559 (E_RNA)
where:
Base-Base interactions energy: -187.791
where: short stacking energy: -77.221
Base-Backbone interact. energy: 0.334
local terms energy: -82.764852
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -225.795073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.795073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.795073 (E_RNA)
where:
Base-Base interactions energy: -140.188
where: short stacking energy: -54.312
Base-Backbone interact. energy: -0.022
local terms energy: -85.584887
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -209.596895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.596895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.596895 (E_RNA)
where:
Base-Base interactions energy: -136.562
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.114
local terms energy: -72.920824
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -96.878193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.878193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.878193 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -32.468
Base-Backbone interact. energy: -0.089
local terms energy: -60.943781
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -95.018621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.018621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.018621 (E_RNA)
where:
Base-Base interactions energy: -37.683
where: short stacking energy: -25.890
Base-Backbone interact. energy: -0.518
local terms energy: -56.816908
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -100.573616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.573616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.573616 (E_RNA)
where:
Base-Base interactions energy: -46.446
where: short stacking energy: -34.157
Base-Backbone interact. energy: -0.293
local terms energy: -53.834114
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -3.301
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: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -294.294794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.294794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.294794 (E_RNA)
where:
Base-Base interactions energy: -202.810
where: short stacking energy: -83.342
Base-Backbone interact. energy: -0.056
local terms energy: -91.429188
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -311.283234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.283234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.283234 (E_RNA)
where:
Base-Base interactions energy: -220.423
where: short stacking energy: -82.660
Base-Backbone interact. energy: 0.617
local terms energy: -91.476967
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -21.814
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: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -282.892800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.892800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.892800 (E_RNA)
where:
Base-Base interactions energy: -185.046
where: short stacking energy: -88.117
Base-Backbone interact. energy: -0.209
local terms energy: -97.636929
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -30.032
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: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -270.783362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.783362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.783362 (E_RNA)
where:
Base-Base interactions energy: -183.760
where: short stacking energy: -82.773
Base-Backbone interact. energy: -0.022
local terms energy: -87.001185
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -20.986
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: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -255.441321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.441321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.441321 (E_RNA)
where:
Base-Base interactions energy: -169.005
where: short stacking energy: -69.434
Base-Backbone interact. energy: -0.137
local terms energy: -86.298945
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -10.900
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: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -230.231194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.231194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.231194 (E_RNA)
where:
Base-Base interactions energy: -152.534
where: short stacking energy: -67.958
Base-Backbone interact. energy: -0.026
local terms energy: -77.671480
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -208.429476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.429476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429476 (E_RNA)
where:
Base-Base interactions energy: -131.027
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.201
local terms energy: -77.200970
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -97.754735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.754735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.754735 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -29.108
Base-Backbone interact. energy: -0.274
local terms energy: -64.919538
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -93.147787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.147787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.147787 (E_RNA)
where:
Base-Base interactions energy: -30.478
where: short stacking energy: -24.914
Base-Backbone interact. energy: -0.408
local terms energy: -62.262016
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -90.841358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.841358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.841358 (E_RNA)
where:
Base-Base interactions energy: -32.507
where: short stacking energy: -32.507
Base-Backbone interact. energy: -0.073
local terms energy: -58.260732
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -2.775
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: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -292.278487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.278487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.278487 (E_RNA)
where:
Base-Base interactions energy: -195.646
where: short stacking energy: -78.254
Base-Backbone interact. energy: -0.122
local terms energy: -96.510683
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -283.598100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.598100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.598100 (E_RNA)
where:
Base-Base interactions energy: -188.752
where: short stacking energy: -88.684
Base-Backbone interact. energy: -1.145
local terms energy: -93.700774
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -26.495
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: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -303.392784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.392784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.392784 (E_RNA)
where:
Base-Base interactions energy: -212.210
where: short stacking energy: -81.869
Base-Backbone interact. energy: -0.254
local terms energy: -90.929009
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -22.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -276.946290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.946290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.946290 (E_RNA)
where:
Base-Base interactions energy: -200.404
where: short stacking energy: -81.259
Base-Backbone interact. energy: -0.091
local terms energy: -76.451619
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -10.728
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: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -267.042698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.042698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.042698 (E_RNA)
where:
Base-Base interactions energy: -173.646
where: short stacking energy: -78.046
Base-Backbone interact. energy: -0.053
local terms energy: -93.343745
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -219.959352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.959352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.959352 (E_RNA)
where:
Base-Base interactions energy: -137.860
where: short stacking energy: -62.147
Base-Backbone interact. energy: -0.372
local terms energy: -81.727300
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -212.926579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.926579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.926579 (E_RNA)
where:
Base-Base interactions energy: -139.831
where: short stacking energy: -67.402
Base-Backbone interact. energy: -0.132
local terms energy: -72.963572
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -19.851
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: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -95.035656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.035656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.035656 (E_RNA)
where:
Base-Base interactions energy: -35.988
where: short stacking energy: -32.897
Base-Backbone interact. energy: -0.918
local terms energy: -58.129569
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -8.188
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: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -98.973514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973514 (E_RNA)
where:
Base-Base interactions energy: -30.755
where: short stacking energy: -27.557
Base-Backbone interact. energy: -0.196
local terms energy: -68.022286
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -92.925945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.925945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.925945 (E_RNA)
where:
Base-Base interactions energy: -41.803
where: short stacking energy: -35.278
Base-Backbone interact. energy: -0.166
local terms energy: -50.956492
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -8.432
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -286.491576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.491576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.491576 (E_RNA)
where:
Base-Base interactions energy: -196.403
where: short stacking energy: -94.293
Base-Backbone interact. energy: -0.001
local terms energy: -90.087174
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -296.992891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.992891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.992891 (E_RNA)
where:
Base-Base interactions energy: -197.607
where: short stacking energy: -85.302
Base-Backbone interact. energy: -0.539
local terms energy: -98.847115
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -24.264
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: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -288.885524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.885524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.885524 (E_RNA)
where:
Base-Base interactions energy: -209.859
where: short stacking energy: -82.535
Base-Backbone interact. energy: 0.420
local terms energy: -79.445767
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -275.613500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.613500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.613500 (E_RNA)
where:
Base-Base interactions energy: -183.464
where: short stacking energy: -83.204
Base-Backbone interact. energy: -0.172
local terms energy: -91.976572
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -274.109774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.109774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.109774 (E_RNA)
where:
Base-Base interactions energy: -178.905
where: short stacking energy: -76.765
Base-Backbone interact. energy: -0.027
local terms energy: -95.177355
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -26.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -237.223249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.223249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.223249 (E_RNA)
where:
Base-Base interactions energy: -156.887
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.006
local terms energy: -80.330422
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -212.545969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.545969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.545969 (E_RNA)
where:
Base-Base interactions energy: -146.801
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.018
local terms energy: -65.727240
where:
bonds (distance) C4'-P energy: -7.289
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -12.081
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: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -119.207772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.207772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.207772 (E_RNA)
where:
Base-Base interactions energy: -66.457
where: short stacking energy: -28.244
Base-Backbone interact. energy: -0.234
local terms energy: -52.516955
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -8.020
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: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -101.104588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.104588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.104588 (E_RNA)
where:
Base-Base interactions energy: -44.419
where: short stacking energy: -37.798
Base-Backbone interact. energy: 5.847
local terms energy: -62.531941
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -86.284883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.284883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.284883 (E_RNA)
where:
Base-Base interactions energy: -35.389
where: short stacking energy: -30.809
Base-Backbone interact. energy: -0.202
local terms energy: -50.694160
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: 0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -291.631632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.631632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.631632 (E_RNA)
where:
Base-Base interactions energy: -201.618
where: short stacking energy: -81.879
Base-Backbone interact. energy: -0.164
local terms energy: -89.849347
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -24.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -277.588965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.588965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.588965 (E_RNA)
where:
Base-Base interactions energy: -188.824
where: short stacking energy: -89.583
Base-Backbone interact. energy: -1.752
local terms energy: -87.012931
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -27.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -281.442097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.442097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.442097 (E_RNA)
where:
Base-Base interactions energy: -195.928
where: short stacking energy: -70.757
Base-Backbone interact. energy: -0.115
local terms energy: -85.399903
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -17.821
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: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -274.022065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.022065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.022065 (E_RNA)
where:
Base-Base interactions energy: -186.918
where: short stacking energy: -79.781
Base-Backbone interact. energy: -0.001
local terms energy: -87.102819
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -274.775820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.775820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.775820 (E_RNA)
where:
Base-Base interactions energy: -189.599
where: short stacking energy: -82.298
Base-Backbone interact. energy: -0.133
local terms energy: -85.043585
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -9.197
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: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -234.904280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.904280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.904280 (E_RNA)
where:
Base-Base interactions energy: -155.162
where: short stacking energy: -73.263
Base-Backbone interact. energy: -0.052
local terms energy: -79.689990
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -17.431
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: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -219.432039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.432039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.432039 (E_RNA)
where:
Base-Base interactions energy: -141.249
where: short stacking energy: -57.569
Base-Backbone interact. energy: -1.039
local terms energy: -77.143739
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -100.519339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.519339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.519339 (E_RNA)
where:
Base-Base interactions energy: -43.420
where: short stacking energy: -33.660
Base-Backbone interact. energy: 0.040
local terms energy: -57.138657
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -90.854303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.854303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.854303 (E_RNA)
where:
Base-Base interactions energy: -26.975
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.256
local terms energy: -63.623718
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -103.143551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.143551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.143551 (E_RNA)
where:
Base-Base interactions energy: -38.178
where: short stacking energy: -36.426
Base-Backbone interact. energy: -0.457
local terms energy: -64.508224
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -294.877136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.877136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.877136 (E_RNA)
where:
Base-Base interactions energy: -193.689
where: short stacking energy: -92.500
Base-Backbone interact. energy: -0.062
local terms energy: -101.126162
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -25.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -288.942836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.942836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.942836 (E_RNA)
where:
Base-Base interactions energy: -189.813
where: short stacking energy: -89.488
Base-Backbone interact. energy: -0.002
local terms energy: -99.127328
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -29.306
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: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -269.737829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.737829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.737829 (E_RNA)
where:
Base-Base interactions energy: -183.497
where: short stacking energy: -83.519
Base-Backbone interact. energy: -0.105
local terms energy: -86.135702
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -25.761
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: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -281.508797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.508797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.508797 (E_RNA)
where:
Base-Base interactions energy: -194.204
where: short stacking energy: -81.206
Base-Backbone interact. energy: -0.278
local terms energy: -87.026440
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -22.537
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: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -274.878800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.878800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.878800 (E_RNA)
where:
Base-Base interactions energy: -192.204
where: short stacking energy: -67.573
Base-Backbone interact. energy: -0.086
local terms energy: -82.588481
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -247.601055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.601055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.601055 (E_RNA)
where:
Base-Base interactions energy: -169.844
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.259
local terms energy: -77.498341
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -210.043850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.043850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.043850 (E_RNA)
where:
Base-Base interactions energy: -131.510
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.087
local terms energy: -78.446928
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -20.377
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: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -98.967875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.967875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.967875 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -26.697
Base-Backbone interact. energy: 0.109
local terms energy: -64.133400
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -7.523
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: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -94.558067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.558067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.558067 (E_RNA)
where:
Base-Base interactions energy: -32.265
where: short stacking energy: -28.500
Base-Backbone interact. energy: 1.381
local terms energy: -63.674005
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -92.328752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.328752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.328752 (E_RNA)
where:
Base-Base interactions energy: -36.200
where: short stacking energy: -31.784
Base-Backbone interact. energy: 0.729
local terms energy: -56.857872
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -295.646235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.646235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.646235 (E_RNA)
where:
Base-Base interactions energy: -194.976
where: short stacking energy: -86.744
Base-Backbone interact. energy: -0.020
local terms energy: -100.650200
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -283.562307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.562307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.562307 (E_RNA)
where:
Base-Base interactions energy: -187.590
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.571
local terms energy: -95.401800
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -24.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -280.251382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.251382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.251382 (E_RNA)
where:
Base-Base interactions energy: -195.572
where: short stacking energy: -77.482
Base-Backbone interact. energy: -0.092
local terms energy: -84.587227
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -275.093673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.093673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.093673 (E_RNA)
where:
Base-Base interactions energy: -185.053
where: short stacking energy: -84.037
Base-Backbone interact. energy: 0.059
local terms energy: -90.098915
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -28.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -271.813799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.813799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.813799 (E_RNA)
where:
Base-Base interactions energy: -185.851
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.558
local terms energy: -85.404923
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -14.391
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: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -241.465597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.465597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.465597 (E_RNA)
where:
Base-Base interactions energy: -170.858
where: short stacking energy: -63.621
Base-Backbone interact. energy: 3.010
local terms energy: -73.617147
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -18.187
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: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -213.773618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.773618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.773618 (E_RNA)
where:
Base-Base interactions energy: -140.724
where: short stacking energy: -69.241
Base-Backbone interact. energy: -0.108
local terms energy: -72.942032
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -106.414741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.414741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.414741 (E_RNA)
where:
Base-Base interactions energy: -48.018
where: short stacking energy: -32.683
Base-Backbone interact. energy: -0.325
local terms energy: -58.071656
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -97.892653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.892653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.892653 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -26.038
Base-Backbone interact. energy: -0.514
local terms energy: -61.388954
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: 0.341
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: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -94.313129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.313129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.313129 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -26.181
Base-Backbone interact. energy: 1.514
local terms energy: -59.778215
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -3.455
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: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -294.270907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.270907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.270907 (E_RNA)
where:
Base-Base interactions energy: -195.035
where: short stacking energy: -94.366
Base-Backbone interact. energy: -0.004
local terms energy: -99.231825
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -25.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -291.034390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.034390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.034390 (E_RNA)
where:
Base-Base interactions energy: -191.908
where: short stacking energy: -79.736
Base-Backbone interact. energy: -0.171
local terms energy: -98.955876
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -280.832841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.832841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.832841 (E_RNA)
where:
Base-Base interactions energy: -196.127
where: short stacking energy: -79.880
Base-Backbone interact. energy: -0.110
local terms energy: -84.595625
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -256.895971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.895971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.895971 (E_RNA)
where:
Base-Base interactions energy: -170.403
where: short stacking energy: -82.618
Base-Backbone interact. energy: -0.082
local terms energy: -86.410958
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -22.272
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: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -277.809201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.809201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.809201 (E_RNA)
where:
Base-Base interactions energy: -187.041
where: short stacking energy: -76.696
Base-Backbone interact. energy: -0.324
local terms energy: -90.444909
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -261.796646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.796646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.796646 (E_RNA)
where:
Base-Base interactions energy: -172.492
where: short stacking energy: -69.491
Base-Backbone interact. energy: -0.096
local terms energy: -89.208565
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -19.700
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: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -205.681263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.681263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.681263 (E_RNA)
where:
Base-Base interactions energy: -125.564
where: short stacking energy: -63.143
Base-Backbone interact. energy: 0.162
local terms energy: -80.279949
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -105.710820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.710820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.710820 (E_RNA)
where:
Base-Base interactions energy: -48.031
where: short stacking energy: -46.500
Base-Backbone interact. energy: -0.507
local terms energy: -57.172862
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -112.264582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.264582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.264582 (E_RNA)
where:
Base-Base interactions energy: -57.972
where: short stacking energy: -39.764
Base-Backbone interact. energy: -0.586
local terms energy: -53.706740
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -86.458437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.458437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.458437 (E_RNA)
where:
Base-Base interactions energy: -36.132
where: short stacking energy: -28.813
Base-Backbone interact. energy: -0.083
local terms energy: -50.243839
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -1.262
tors. eta vs tors. theta energy: -2.986
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: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -287.998471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.998471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.998471 (E_RNA)
where:
Base-Base interactions energy: -187.437
where: short stacking energy: -77.696
Base-Backbone interact. energy: -0.006
local terms energy: -100.555150
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -289.035185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.035185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.035185 (E_RNA)
where:
Base-Base interactions energy: -199.216
where: short stacking energy: -86.231
Base-Backbone interact. energy: -0.616
local terms energy: -89.202627
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -24.847
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: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -283.561165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.561165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.561165 (E_RNA)
where:
Base-Base interactions energy: -191.333
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.818
local terms energy: -91.410406
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -14.472
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: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -273.266185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.266185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.266185 (E_RNA)
where:
Base-Base interactions energy: -192.656
where: short stacking energy: -72.916
Base-Backbone interact. energy: 1.496
local terms energy: -82.106826
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -255.214818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.214818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.214818 (E_RNA)
where:
Base-Base interactions energy: -173.281
where: short stacking energy: -77.085
Base-Backbone interact. energy: -0.279
local terms energy: -81.654484
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -244.530581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.530581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.530581 (E_RNA)
where:
Base-Base interactions energy: -163.325
where: short stacking energy: -71.642
Base-Backbone interact. energy: -0.157
local terms energy: -81.048539
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -216.897643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.897643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.897643 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -62.961
Base-Backbone interact. energy: -0.098
local terms energy: -77.251698
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -100.431606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.431606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.431606 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -36.750
Base-Backbone interact. energy: -0.979
local terms energy: -59.740105
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -3.675
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: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -87.311803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.311803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.311803 (E_RNA)
where:
Base-Base interactions energy: -30.155
where: short stacking energy: -28.715
Base-Backbone interact. energy: 0.018
local terms energy: -57.174652
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -87.354064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.354064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.354064 (E_RNA)
where:
Base-Base interactions energy: -27.301
where: short stacking energy: -20.100
Base-Backbone interact. energy: -0.403
local terms energy: -59.649991
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: 0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -299.733741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.733741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.733741 (E_RNA)
where:
Base-Base interactions energy: -203.228
where: short stacking energy: -90.657
Base-Backbone interact. energy: -0.313
local terms energy: -96.192436
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -26.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -286.564167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.564167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.564167 (E_RNA)
where:
Base-Base interactions energy: -197.114
where: short stacking energy: -79.082
Base-Backbone interact. energy: 0.050
local terms energy: -89.500650
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -278.658814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.658814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.658814 (E_RNA)
where:
Base-Base interactions energy: -200.051
where: short stacking energy: -81.992
Base-Backbone interact. energy: 0.628
local terms energy: -79.235874
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -264.205803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.205803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.205803 (E_RNA)
where:
Base-Base interactions energy: -175.878
where: short stacking energy: -74.013
Base-Backbone interact. energy: -0.147
local terms energy: -88.180687
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -258.035821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.035821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.035821 (E_RNA)
where:
Base-Base interactions energy: -181.861
where: short stacking energy: -73.067
Base-Backbone interact. energy: -0.170
local terms energy: -76.004027
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -250.607721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.607721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.607721 (E_RNA)
where:
Base-Base interactions energy: -168.620
where: short stacking energy: -66.171
Base-Backbone interact. energy: -1.252
local terms energy: -80.736182
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -211.221115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.221115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.221115 (E_RNA)
where:
Base-Base interactions energy: -140.674
where: short stacking energy: -58.573
Base-Backbone interact. energy: -0.292
local terms energy: -70.254689
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -102.105568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.105568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.105568 (E_RNA)
where:
Base-Base interactions energy: -40.162
where: short stacking energy: -29.127
Base-Backbone interact. energy: -0.777
local terms energy: -61.166101
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -1.944
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: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -121.096111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.096111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.096111 (E_RNA)
where:
Base-Base interactions energy: -65.505
where: short stacking energy: -29.874
Base-Backbone interact. energy: 1.916
local terms energy: -57.507209
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -102.219453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.219453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.219453 (E_RNA)
where:
Base-Base interactions energy: -43.125
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.085
local terms energy: -59.009462
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -302.530861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.530861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.530861 (E_RNA)
where:
Base-Base interactions energy: -209.378
where: short stacking energy: -85.694
Base-Backbone interact. energy: -0.120
local terms energy: -93.033346
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -23.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -287.709552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.709552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.709552 (E_RNA)
where:
Base-Base interactions energy: -196.338
where: short stacking energy: -82.826
Base-Backbone interact. energy: 0.803
local terms energy: -92.174738
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -12.496
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: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -267.174573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.174573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.174573 (E_RNA)
where:
Base-Base interactions energy: -179.446
where: short stacking energy: -76.558
Base-Backbone interact. energy: -0.515
local terms energy: -87.212839
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -20.366
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: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -271.742830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.742830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.742830 (E_RNA)
where:
Base-Base interactions energy: -187.836
where: short stacking energy: -73.144
Base-Backbone interact. energy: -0.178
local terms energy: -83.729209
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -247.784313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.784313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.784313 (E_RNA)
where:
Base-Base interactions energy: -156.232
where: short stacking energy: -75.908
Base-Backbone interact. energy: -0.362
local terms energy: -91.190704
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -25.171
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: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -224.629904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.629904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.629904 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.387
local terms energy: -81.245676
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -15.813
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: 161
Temperature: 1.200000
Total energy: -227.688424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.688424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.688424 (E_RNA)
where:
Base-Base interactions energy: -154.463
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.024
local terms energy: -73.201575
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -109.123331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.123331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.123331 (E_RNA)
where:
Base-Base interactions energy: -47.855
where: short stacking energy: -44.497
Base-Backbone interact. energy: -0.183
local terms energy: -61.085736
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -96.055983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.055983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.055983 (E_RNA)
where:
Base-Base interactions energy: -46.987
where: short stacking energy: -28.467
Base-Backbone interact. energy: -0.538
local terms energy: -48.531295
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -93.005601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005601 (E_RNA)
where:
Base-Base interactions energy: -39.189
where: short stacking energy: -28.993
Base-Backbone interact. energy: -0.131
local terms energy: -53.685613
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -2.468
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: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -293.397053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.397053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.397053 (E_RNA)
where:
Base-Base interactions energy: -196.794
where: short stacking energy: -91.618
Base-Backbone interact. energy: -0.007
local terms energy: -96.595889
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -290.918624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.918624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.918624 (E_RNA)
where:
Base-Base interactions energy: -194.682
where: short stacking energy: -82.749
Base-Backbone interact. energy: -0.075
local terms energy: -96.161458
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -25.537
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: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -265.267231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.267231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.267231 (E_RNA)
where:
Base-Base interactions energy: -180.055
where: short stacking energy: -70.875
Base-Backbone interact. energy: -0.287
local terms energy: -84.925800
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -16.593
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: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -262.247860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.247860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.247860 (E_RNA)
where:
Base-Base interactions energy: -177.857
where: short stacking energy: -70.799
Base-Backbone interact. energy: -1.486
local terms energy: -82.905022
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -216.313763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.313763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.313763 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.122
local terms energy: -82.548365
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -20.755
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: 162
Temperature: 1.150000
Total energy: -257.525493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.525493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.525493 (E_RNA)
where:
Base-Base interactions energy: -178.568
where: short stacking energy: -65.971
Base-Backbone interact. energy: -0.360
local terms energy: -78.597655
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -235.206753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.206753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.206753 (E_RNA)
where:
Base-Base interactions energy: -151.823
where: short stacking energy: -76.474
Base-Backbone interact. energy: -2.087
local terms energy: -81.296404
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -20.431
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: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -116.305557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.305557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.305557 (E_RNA)
where:
Base-Base interactions energy: -42.741
where: short stacking energy: -40.896
Base-Backbone interact. energy: -0.254
local terms energy: -73.310748
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -12.253
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: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -102.263854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.263854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.263854 (E_RNA)
where:
Base-Base interactions energy: -37.361
where: short stacking energy: -29.447
Base-Backbone interact. energy: -0.413
local terms energy: -64.489736
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -3.193
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: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -88.687777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.687777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.687777 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -30.841
Base-Backbone interact. energy: 0.689
local terms energy: -55.631235
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -294.202684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.202684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.202684 (E_RNA)
where:
Base-Base interactions energy: -201.207
where: short stacking energy: -86.908
Base-Backbone interact. energy: -0.090
local terms energy: -92.905560
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.625
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: 2, replica: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -282.452934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.452934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.452934 (E_RNA)
where:
Base-Base interactions energy: -194.010
where: short stacking energy: -79.638
Base-Backbone interact. energy: -0.011
local terms energy: -88.432349
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -9.556
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: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -276.182241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.182241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.182241 (E_RNA)
where:
Base-Base interactions energy: -193.463
where: short stacking energy: -75.075
Base-Backbone interact. energy: -0.141
local terms energy: -82.577814
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -259.219232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.219232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.219232 (E_RNA)
where:
Base-Base interactions energy: -172.818
where: short stacking energy: -76.629
Base-Backbone interact. energy: -0.296
local terms energy: -86.105752
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -210.581296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.581296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.581296 (E_RNA)
where:
Base-Base interactions energy: -140.660
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.269
local terms energy: -69.652433
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -2.792
tors. eta vs tors. theta energy: -16.934
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: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -241.135552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.135552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.135552 (E_RNA)
where:
Base-Base interactions energy: -167.785
where: short stacking energy: -75.218
Base-Backbone interact. energy: -0.228
local terms energy: -73.123058
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -240.765782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.765782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.765782 (E_RNA)
where:
Base-Base interactions energy: -154.046
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.110
local terms energy: -86.610440
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -21.335
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: 163
Temperature: 1.250000
Total energy: -94.365007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.365007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.365007 (E_RNA)
where:
Base-Base interactions energy: -41.406
where: short stacking energy: -28.327
Base-Backbone interact. energy: -0.083
local terms energy: -52.875999
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: 0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -93.986284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.986284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.986284 (E_RNA)
where:
Base-Base interactions energy: -33.948
where: short stacking energy: -27.632
Base-Backbone interact. energy: -0.069
local terms energy: -59.970075
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -2.017
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: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -94.130129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.130129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.130129 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -32.200
Base-Backbone interact. energy: -0.097
local terms energy: -61.787829
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -300.589214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.589214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.589214 (E_RNA)
where:
Base-Base interactions energy: -207.992
where: short stacking energy: -80.361
Base-Backbone interact. energy: -0.023
local terms energy: -92.574727
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -14.128
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: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -298.600688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.600688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.600688 (E_RNA)
where:
Base-Base interactions energy: -203.302
where: short stacking energy: -90.439
Base-Backbone interact. energy: -0.679
local terms energy: -94.619988
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -30.152
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: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -259.224127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.224127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.224127 (E_RNA)
where:
Base-Base interactions energy: -180.764
where: short stacking energy: -73.002
Base-Backbone interact. energy: -0.134
local terms energy: -78.326166
where:
bonds (distance) C4'-P energy: -7.957
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -12.339
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: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -282.109837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.109837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.109837 (E_RNA)
where:
Base-Base interactions energy: -191.274
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.104
local terms energy: -90.731779
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -235.303639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.303639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.303639 (E_RNA)
where:
Base-Base interactions energy: -151.389
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.309
local terms energy: -83.605338
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -17.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -228.455328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.455328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.455328 (E_RNA)
where:
Base-Base interactions energy: -143.226
where: short stacking energy: -60.725
Base-Backbone interact. energy: -0.076
local terms energy: -85.152700
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -19.513
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: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -269.143652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.143652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.143652 (E_RNA)
where:
Base-Base interactions energy: -171.723
where: short stacking energy: -72.841
Base-Backbone interact. energy: -0.136
local terms energy: -97.284895
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -24.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -101.901070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.901070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.901070 (E_RNA)
where:
Base-Base interactions energy: -42.111
where: short stacking energy: -23.992
Base-Backbone interact. energy: 1.615
local terms energy: -61.404928
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.146
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: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -89.641132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641132 (E_RNA)
where:
Base-Base interactions energy: -30.694
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.894
local terms energy: -58.052919
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -86.519476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.519476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.519476 (E_RNA)
where:
Base-Base interactions energy: -25.681
where: short stacking energy: -25.100
Base-Backbone interact. energy: 1.091
local terms energy: -61.929290
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -5.808
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: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -296.760463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.760463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.760463 (E_RNA)
where:
Base-Base interactions energy: -204.154
where: short stacking energy: -85.543
Base-Backbone interact. energy: -0.004
local terms energy: -92.602187
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -269.914798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.914798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.914798 (E_RNA)
where:
Base-Base interactions energy: -185.729
where: short stacking energy: -75.755
Base-Backbone interact. energy: -0.126
local terms energy: -84.060119
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -15.051
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: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -281.345095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.345095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.345095 (E_RNA)
where:
Base-Base interactions energy: -184.917
where: short stacking energy: -76.679
Base-Backbone interact. energy: -0.241
local terms energy: -96.186942
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -24.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -267.038968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.038968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.038968 (E_RNA)
where:
Base-Base interactions energy: -180.137
where: short stacking energy: -74.575
Base-Backbone interact. energy: -0.037
local terms energy: -86.865297
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -18.040
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: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -244.113858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.113858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.113858 (E_RNA)
where:
Base-Base interactions energy: -156.709
where: short stacking energy: -71.366
Base-Backbone interact. energy: -0.080
local terms energy: -87.324881
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -18.248
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: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -257.292137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.292137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.292137 (E_RNA)
where:
Base-Base interactions energy: -175.108
where: short stacking energy: -71.861
Base-Backbone interact. energy: -0.079
local terms energy: -82.105150
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -24.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -218.249997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.249997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.249997 (E_RNA)
where:
Base-Base interactions energy: -138.268
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.007
local terms energy: -79.974122
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -103.428592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.428592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.428592 (E_RNA)
where:
Base-Base interactions energy: -36.141
where: short stacking energy: -31.483
Base-Backbone interact. energy: -0.219
local terms energy: -67.068838
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -109.282160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.282160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.282160 (E_RNA)
where:
Base-Base interactions energy: -59.058
where: short stacking energy: -34.062
Base-Backbone interact. energy: -1.153
local terms energy: -49.071139
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -9.647
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: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -99.810334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.810334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.810334 (E_RNA)
where:
Base-Base interactions energy: -39.259
where: short stacking energy: -27.950
Base-Backbone interact. energy: 2.207
local terms energy: -62.758613
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: 0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -287.693265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.693265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.693265 (E_RNA)
where:
Base-Base interactions energy: -189.995
where: short stacking energy: -85.235
Base-Backbone interact. energy: -0.368
local terms energy: -97.330169
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -24.868
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: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -284.284119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.284119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.284119 (E_RNA)
where:
Base-Base interactions energy: -197.823
where: short stacking energy: -78.211
Base-Backbone interact. energy: -0.275
local terms energy: -86.186033
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -21.756
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: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -286.254866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.254866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.254866 (E_RNA)
where:
Base-Base interactions energy: -197.061
where: short stacking energy: -87.417
Base-Backbone interact. energy: -0.070
local terms energy: -89.123873
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -11.789
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: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -281.787083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.787083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.787083 (E_RNA)
where:
Base-Base interactions energy: -191.018
where: short stacking energy: -83.388
Base-Backbone interact. energy: -0.044
local terms energy: -90.725186
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -26.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -266.098625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.098625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.098625 (E_RNA)
where:
Base-Base interactions energy: -176.701
where: short stacking energy: -72.476
Base-Backbone interact. energy: -0.088
local terms energy: -89.309491
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -10.052
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: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -239.707197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.707197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.707197 (E_RNA)
where:
Base-Base interactions energy: -162.088
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.101
local terms energy: -77.518740
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -102.032532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.032532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.032532 (E_RNA)
where:
Base-Base interactions energy: -49.187
where: short stacking energy: -35.504
Base-Backbone interact. energy: -0.294
local terms energy: -52.551888
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: 3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -214.888964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.888964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.888964 (E_RNA)
where:
Base-Base interactions energy: -135.113
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.003
local terms energy: -79.772262
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -99.655144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.655144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.655144 (E_RNA)
where:
Base-Base interactions energy: -39.187
where: short stacking energy: -31.444
Base-Backbone interact. energy: -0.410
local terms energy: -60.057352
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -87.261411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.261411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.261411 (E_RNA)
where:
Base-Base interactions energy: -34.247
where: short stacking energy: -25.045
Base-Backbone interact. energy: -0.467
local terms energy: -52.547012
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -291.621766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.621766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.621766 (E_RNA)
where:
Base-Base interactions energy: -196.281
where: short stacking energy: -93.587
Base-Backbone interact. energy: -0.084
local terms energy: -95.256973
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -27.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -299.001129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.001129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.001129 (E_RNA)
where:
Base-Base interactions energy: -214.913
where: short stacking energy: -77.896
Base-Backbone interact. energy: 0.443
local terms energy: -84.530858
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -17.312
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: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -273.309996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.309996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.309996 (E_RNA)
where:
Base-Base interactions energy: -178.473
where: short stacking energy: -78.715
Base-Backbone interact. energy: -0.020
local terms energy: -94.817176
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -25.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -276.404730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.404730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.404730 (E_RNA)
where:
Base-Base interactions energy: -188.108
where: short stacking energy: -77.956
Base-Backbone interact. energy: 0.442
local terms energy: -88.738620
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -23.261
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: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -260.935557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.935557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.935557 (E_RNA)
where:
Base-Base interactions energy: -176.722
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.165
local terms energy: -84.049058
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -16.321
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: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -235.504878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.504878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.504878 (E_RNA)
where:
Base-Base interactions energy: -157.905
where: short stacking energy: -58.681
Base-Backbone interact. energy: -0.119
local terms energy: -77.480899
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -11.632
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: 167
Temperature: 1.200000
Total energy: -104.158609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.158609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.158609 (E_RNA)
where:
Base-Base interactions energy: -39.596
where: short stacking energy: -39.596
Base-Backbone interact. energy: -0.382
local terms energy: -64.180393
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -146.256119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.256119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.256119 (E_RNA)
where:
Base-Base interactions energy: -79.354
where: short stacking energy: -42.265
Base-Backbone interact. energy: -0.789
local terms energy: -66.112966
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -170.906644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.906644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.906644 (E_RNA)
where:
Base-Base interactions energy: -114.037
where: short stacking energy: -53.997
Base-Backbone interact. energy: -0.323
local terms energy: -56.545870
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -87.909207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.909207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.909207 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -33.068
Base-Backbone interact. energy: 0.418
local terms energy: -50.131349
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -5.346
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -298.657965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.657965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.657965 (E_RNA)
where:
Base-Base interactions energy: -208.521
where: short stacking energy: -75.655
Base-Backbone interact. energy: 0.393
local terms energy: -90.529754
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -291.157744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.157744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.157744 (E_RNA)
where:
Base-Base interactions energy: -195.116
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.078
local terms energy: -95.963630
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -25.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -288.661838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.661838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.661838 (E_RNA)
where:
Base-Base interactions energy: -193.261
where: short stacking energy: -89.317
Base-Backbone interact. energy: -0.228
local terms energy: -95.173268
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -8.786
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: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -276.668415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.668415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.668415 (E_RNA)
where:
Base-Base interactions energy: -185.994
where: short stacking energy: -78.948
Base-Backbone interact. energy: -0.093
local terms energy: -90.582203
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -259.472593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.472593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.472593 (E_RNA)
where:
Base-Base interactions energy: -178.809
where: short stacking energy: -84.260
Base-Backbone interact. energy: 0.061
local terms energy: -80.724607
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -252.820551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.820551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.820551 (E_RNA)
where:
Base-Base interactions energy: -161.567
where: short stacking energy: -76.139
Base-Backbone interact. energy: -0.028
local terms energy: -91.225536
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -24.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -157.604089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.604089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.604089 (E_RNA)
where:
Base-Base interactions energy: -89.825
where: short stacking energy: -52.478
Base-Backbone interact. energy: -0.406
local terms energy: -67.372572
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -12.249
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: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -115.220278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.220278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.220278 (E_RNA)
where:
Base-Base interactions energy: -63.073
where: short stacking energy: -32.452
Base-Backbone interact. energy: -0.731
local terms energy: -51.416952
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -192.476475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.476475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.476475 (E_RNA)
where:
Base-Base interactions energy: -115.538
where: short stacking energy: -56.456
Base-Backbone interact. energy: -0.104
local terms energy: -76.834325
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -11.493
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: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -97.927130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.927130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.927130 (E_RNA)
where:
Base-Base interactions energy: -37.479
where: short stacking energy: -37.479
Base-Backbone interact. energy: -0.077
local terms energy: -60.370801
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -311.234482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.234482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.234482 (E_RNA)
where:
Base-Base interactions energy: -217.329
where: short stacking energy: -75.636
Base-Backbone interact. energy: -0.271
local terms energy: -93.634773
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -293.596173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.596173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.596173 (E_RNA)
where:
Base-Base interactions energy: -193.843
where: short stacking energy: -84.123
Base-Backbone interact. energy: -0.195
local terms energy: -99.558212
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -30.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -284.808020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.808020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.808020 (E_RNA)
where:
Base-Base interactions energy: -202.817
where: short stacking energy: -84.301
Base-Backbone interact. energy: -0.060
local terms energy: -81.930733
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -277.831916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.831916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.831916 (E_RNA)
where:
Base-Base interactions energy: -189.079
where: short stacking energy: -80.032
Base-Backbone interact. energy: -0.079
local terms energy: -88.674154
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -287.220640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.220640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.220640 (E_RNA)
where:
Base-Base interactions energy: -193.655
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.031
local terms energy: -93.534418
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -265.535384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.535384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.535384 (E_RNA)
where:
Base-Base interactions energy: -173.823
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.062
local terms energy: -91.650540
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -163.988850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.988850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.988850 (E_RNA)
where:
Base-Base interactions energy: -90.270
where: short stacking energy: -50.105
Base-Backbone interact. energy: -0.027
local terms energy: -73.692326
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -15.112
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: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -162.994606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.994606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.994606 (E_RNA)
where:
Base-Base interactions energy: -95.482
where: short stacking energy: -39.794
Base-Backbone interact. energy: -0.021
local terms energy: -67.491242
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -88.791477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.791477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.791477 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -30.687
Base-Backbone interact. energy: 0.830
local terms energy: -58.934385
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -3.099
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: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -91.156127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.156127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.156127 (E_RNA)
where:
Base-Base interactions energy: -36.062
where: short stacking energy: -27.837
Base-Backbone interact. energy: 0.191
local terms energy: -55.285131
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -10.242
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: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -299.105214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.105214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.105214 (E_RNA)
where:
Base-Base interactions energy: -202.148
where: short stacking energy: -85.031
Base-Backbone interact. energy: -0.108
local terms energy: -96.849394
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -14.732
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: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -294.240300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.240300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.240300 (E_RNA)
where:
Base-Base interactions energy: -211.668
where: short stacking energy: -71.689
Base-Backbone interact. energy: 1.298
local terms energy: -83.870235
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -278.173841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.173841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.173841 (E_RNA)
where:
Base-Base interactions energy: -186.718
where: short stacking energy: -84.423
Base-Backbone interact. energy: -0.009
local terms energy: -91.447153
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -27.694
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: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -286.591149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.591149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.591149 (E_RNA)
where:
Base-Base interactions energy: -191.331
where: short stacking energy: -82.575
Base-Backbone interact. energy: -0.072
local terms energy: -95.188197
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -286.844103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.844103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.844103 (E_RNA)
where:
Base-Base interactions energy: -202.874
where: short stacking energy: -85.865
Base-Backbone interact. energy: -0.090
local terms energy: -83.879906
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -26.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -257.243089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.243089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.243089 (E_RNA)
where:
Base-Base interactions energy: -174.568
where: short stacking energy: -75.276
Base-Backbone interact. energy: -0.153
local terms energy: -82.521765
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -146.135335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.135335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.135335 (E_RNA)
where:
Base-Base interactions energy: -83.746
where: short stacking energy: -43.348
Base-Backbone interact. energy: -0.247
local terms energy: -62.141932
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -9.193
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: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -194.511452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.511452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.511452 (E_RNA)
where:
Base-Base interactions energy: -128.394
where: short stacking energy: -55.165
Base-Backbone interact. energy: -0.587
local terms energy: -65.530226
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -104.088193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.088193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.088193 (E_RNA)
where:
Base-Base interactions energy: -36.427
where: short stacking energy: -26.507
Base-Backbone interact. energy: 0.974
local terms energy: -68.634623
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -80.228585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.228585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.228585 (E_RNA)
where:
Base-Base interactions energy: -21.259
where: short stacking energy: -21.259
Base-Backbone interact. energy: -0.787
local terms energy: -58.182588
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -290.828099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.828099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.828099 (E_RNA)
where:
Base-Base interactions energy: -195.446
where: short stacking energy: -84.910
Base-Backbone interact. energy: -0.423
local terms energy: -94.959447
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -13.349
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -293.015670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.015670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.015670 (E_RNA)
where:
Base-Base interactions energy: -201.170
where: short stacking energy: -82.591
Base-Backbone interact. energy: -0.058
local terms energy: -91.787481
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -294.710656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.710656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.710656 (E_RNA)
where:
Base-Base interactions energy: -210.376
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.737
local terms energy: -83.597535
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -283.453886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.453886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.453886 (E_RNA)
where:
Base-Base interactions energy: -191.293
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.115
local terms energy: -92.045962
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -24.016
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: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -245.754154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.754154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.754154 (E_RNA)
where:
Base-Base interactions energy: -174.454
where: short stacking energy: -71.561
Base-Backbone interact. energy: -0.029
local terms energy: -71.270872
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -4.590
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: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -252.694341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.694341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.694341 (E_RNA)
where:
Base-Base interactions energy: -170.981
where: short stacking energy: -73.367
Base-Backbone interact. energy: -0.106
local terms energy: -81.607464
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -20.836
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: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -141.842282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.842282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.842282 (E_RNA)
where:
Base-Base interactions energy: -78.489
where: short stacking energy: -40.029
Base-Backbone interact. energy: 1.304
local terms energy: -64.657102
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -157.177952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.177952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.177952 (E_RNA)
where:
Base-Base interactions energy: -95.517
where: short stacking energy: -48.069
Base-Backbone interact. energy: -0.243
local terms energy: -61.418321
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -12.457
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: 171
Temperature: 1.300000
Total energy: -90.024991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.024991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.024991 (E_RNA)
where:
Base-Base interactions energy: -32.857
where: short stacking energy: -28.573
Base-Backbone interact. energy: 0.399
local terms energy: -57.567544
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: 3.903
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: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -93.995086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.995086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.995086 (E_RNA)
where:
Base-Base interactions energy: -39.274
where: short stacking energy: -39.274
Base-Backbone interact. energy: -0.010
local terms energy: -54.711050
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -288.104699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.104699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.104699 (E_RNA)
where:
Base-Base interactions energy: -190.021
where: short stacking energy: -82.644
Base-Backbone interact. energy: -0.092
local terms energy: -97.992143
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -21.959
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: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -289.644707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.644707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.644707 (E_RNA)
where:
Base-Base interactions energy: -194.392
where: short stacking energy: -74.702
Base-Backbone interact. energy: -0.003
local terms energy: -95.250236
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -13.450
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: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -302.863357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.863357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.863357 (E_RNA)
where:
Base-Base interactions energy: -206.941
where: short stacking energy: -87.980
Base-Backbone interact. energy: -0.140
local terms energy: -95.781956
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -14.325
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: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -284.347070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.347070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.347070 (E_RNA)
where:
Base-Base interactions energy: -205.112
where: short stacking energy: -73.297
Base-Backbone interact. energy: -0.148
local terms energy: -79.086427
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -265.909741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.909741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.909741 (E_RNA)
where:
Base-Base interactions energy: -178.461
where: short stacking energy: -79.304
Base-Backbone interact. energy: -0.002
local terms energy: -87.446676
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -252.084727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.084727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.084727 (E_RNA)
where:
Base-Base interactions energy: -171.570
where: short stacking energy: -66.433
Base-Backbone interact. energy: -0.009
local terms energy: -80.506481
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -158.066090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.066090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.066090 (E_RNA)
where:
Base-Base interactions energy: -93.366
where: short stacking energy: -46.825
Base-Backbone interact. energy: -0.178
local terms energy: -64.522435
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -6.240
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: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -139.865226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.865226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.865226 (E_RNA)
where:
Base-Base interactions energy: -66.877
where: short stacking energy: -36.878
Base-Backbone interact. energy: 0.272
local terms energy: -73.259877
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -108.183236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.183236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.183236 (E_RNA)
where:
Base-Base interactions energy: -40.385
where: short stacking energy: -39.070
Base-Backbone interact. energy: -0.127
local terms energy: -67.671232
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -94.719719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.719719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.719719 (E_RNA)
where:
Base-Base interactions energy: -31.673
where: short stacking energy: -30.480
Base-Backbone interact. energy: 1.288
local terms energy: -64.334399
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -294.342020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.342020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.342020 (E_RNA)
where:
Base-Base interactions energy: -202.107
where: short stacking energy: -83.026
Base-Backbone interact. energy: -0.105
local terms energy: -92.130012
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -24.948
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -284.335084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.335084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.335084 (E_RNA)
where:
Base-Base interactions energy: -183.979
where: short stacking energy: -87.477
Base-Backbone interact. energy: -0.142
local terms energy: -100.214231
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -26.384
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: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -285.783390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.783390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.783390 (E_RNA)
where:
Base-Base interactions energy: -191.308
where: short stacking energy: -81.847
Base-Backbone interact. energy: -0.118
local terms energy: -94.358035
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -282.471552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.471552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.471552 (E_RNA)
where:
Base-Base interactions energy: -208.954
where: short stacking energy: -79.606
Base-Backbone interact. energy: -0.292
local terms energy: -73.224895
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -241.159452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.159452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.159452 (E_RNA)
where:
Base-Base interactions energy: -157.966
where: short stacking energy: -68.342
Base-Backbone interact. energy: 0.162
local terms energy: -83.355165
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -21.369
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: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -244.721531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.721531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.721531 (E_RNA)
where:
Base-Base interactions energy: -163.902
where: short stacking energy: -69.679
Base-Backbone interact. energy: -0.089
local terms energy: -80.730223
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -176.568352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.568352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.568352 (E_RNA)
where:
Base-Base interactions energy: -101.632
where: short stacking energy: -45.173
Base-Backbone interact. energy: -0.236
local terms energy: -74.700348
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -10.008
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: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -125.435533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.435533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.435533 (E_RNA)
where:
Base-Base interactions energy: -65.086
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.288
local terms energy: -60.061676
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -96.953375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.953375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.953375 (E_RNA)
where:
Base-Base interactions energy: -59.096
where: short stacking energy: -29.255
Base-Backbone interact. energy: 1.521
local terms energy: -39.377661
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: 0.116
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -91.356133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.356133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.356133 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -31.600
Base-Backbone interact. energy: -0.213
local terms energy: -59.542469
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -12.555
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: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -299.229614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.229614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.229614 (E_RNA)
where:
Base-Base interactions energy: -200.273
where: short stacking energy: -88.335
Base-Backbone interact. energy: -0.083
local terms energy: -98.874113
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -26.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -283.537295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.537295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.537295 (E_RNA)
where:
Base-Base interactions energy: -191.666
where: short stacking energy: -87.816
Base-Backbone interact. energy: -0.167
local terms energy: -91.704615
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -15.297
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: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -289.237112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.237112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.237112 (E_RNA)
where:
Base-Base interactions energy: -201.488
where: short stacking energy: -77.913
Base-Backbone interact. energy: 1.266
local terms energy: -89.014742
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -8.413
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: 174
Temperature: 1.050000
Total energy: -283.120023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.120023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.120023 (E_RNA)
where:
Base-Base interactions energy: -184.875
where: short stacking energy: -80.230
Base-Backbone interact. energy: -0.827
local terms energy: -97.418086
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -238.356851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.356851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.356851 (E_RNA)
where:
Base-Base interactions energy: -165.565
where: short stacking energy: -67.006
Base-Backbone interact. energy: 1.008
local terms energy: -73.800301
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -241.838173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.838173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.838173 (E_RNA)
where:
Base-Base interactions energy: -153.864
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.154
local terms energy: -87.820500
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -193.677788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.677788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.677788 (E_RNA)
where:
Base-Base interactions energy: -113.703
where: short stacking energy: -56.715
Base-Backbone interact. energy: -0.636
local terms energy: -79.338422
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -125.138899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.138899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.138899 (E_RNA)
where:
Base-Base interactions energy: -51.683
where: short stacking energy: -44.574
Base-Backbone interact. energy: -0.251
local terms energy: -73.204759
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -93.200006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.200006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.200006 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.281
local terms energy: -57.756505
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -100.357853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.357853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.357853 (E_RNA)
where:
Base-Base interactions energy: -51.541
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.883
local terms energy: -47.933506
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: 0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -297.896342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.896342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.896342 (E_RNA)
where:
Base-Base interactions energy: -197.294
where: short stacking energy: -88.671
Base-Backbone interact. energy: -0.015
local terms energy: -100.587684
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -24.016
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: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -294.974683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.974683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.974683 (E_RNA)
where:
Base-Base interactions energy: -200.551
where: short stacking energy: -81.568
Base-Backbone interact. energy: -0.203
local terms energy: -94.220638
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -23.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -282.033235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.033235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.033235 (E_RNA)
where:
Base-Base interactions energy: -189.502
where: short stacking energy: -91.001
Base-Backbone interact. energy: -0.117
local terms energy: -92.414040
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -27.654
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: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -285.942874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.942874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.942874 (E_RNA)
where:
Base-Base interactions energy: -192.857
where: short stacking energy: -85.544
Base-Backbone interact. energy: -0.118
local terms energy: -92.967842
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -13.718
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: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -238.235239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.235239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.235239 (E_RNA)
where:
Base-Base interactions energy: -163.042
where: short stacking energy: -71.024
Base-Backbone interact. energy: -0.062
local terms energy: -75.130766
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -256.069096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.069096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.069096 (E_RNA)
where:
Base-Base interactions energy: -160.029
where: short stacking energy: -78.517
Base-Backbone interact. energy: -0.035
local terms energy: -96.004903
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -27.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -176.539595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.539595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.539595 (E_RNA)
where:
Base-Base interactions energy: -92.711
where: short stacking energy: -45.680
Base-Backbone interact. energy: -1.127
local terms energy: -82.702079
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -102.049817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.049817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.049817 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.050
local terms energy: -67.886500
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -5.921
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: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -87.071067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.071067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.071067 (E_RNA)
where:
Base-Base interactions energy: -25.187
where: short stacking energy: -23.082
Base-Backbone interact. energy: -0.372
local terms energy: -61.511584
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -82.661657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.661657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.661657 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.221
local terms energy: -53.822572
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -7.584
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: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -295.346571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.346571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.346571 (E_RNA)
where:
Base-Base interactions energy: -205.055
where: short stacking energy: -86.836
Base-Backbone interact. energy: 0.695
local terms energy: -90.986545
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -295.805556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.805556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.805556 (E_RNA)
where:
Base-Base interactions energy: -197.602
where: short stacking energy: -82.766
Base-Backbone interact. energy: -0.156
local terms energy: -98.047344
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -284.518820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.518820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.518820 (E_RNA)
where:
Base-Base interactions energy: -187.271
where: short stacking energy: -87.307
Base-Backbone interact. energy: -0.087
local terms energy: -97.161510
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -23.074
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: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -245.557991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.557991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.557991 (E_RNA)
where:
Base-Base interactions energy: -158.604
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.162
local terms energy: -86.792073
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -269.754045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.754045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.754045 (E_RNA)
where:
Base-Base interactions energy: -178.788
where: short stacking energy: -74.140
Base-Backbone interact. energy: -0.078
local terms energy: -90.888346
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -233.564881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.564881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.564881 (E_RNA)
where:
Base-Base interactions energy: -151.525
where: short stacking energy: -68.560
Base-Backbone interact. energy: -0.208
local terms energy: -81.832228
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -18.680
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: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -193.515248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.515248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.515248 (E_RNA)
where:
Base-Base interactions energy: -115.143
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.031
local terms energy: -78.340945
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -100.238738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.238738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.238738 (E_RNA)
where:
Base-Base interactions energy: -37.652
where: short stacking energy: -25.680
Base-Backbone interact. energy: 2.773
local terms energy: -65.359973
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -86.096644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.096644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.096644 (E_RNA)
where:
Base-Base interactions energy: -22.471
where: short stacking energy: -22.471
Base-Backbone interact. energy: -0.400
local terms energy: -63.225079
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -8.513
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: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -81.032223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.032223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.032223 (E_RNA)
where:
Base-Base interactions energy: -26.781
where: short stacking energy: -19.253
Base-Backbone interact. energy: -0.343
local terms energy: -53.908034
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.763
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: 177
Temperature: 0.900000
Total energy: -300.256499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.256499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.256499 (E_RNA)
where:
Base-Base interactions energy: -210.715
where: short stacking energy: -88.332
Base-Backbone interact. energy: 0.994
local terms energy: -90.535256
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -11.443
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: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -296.744431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.744431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.744431 (E_RNA)
where:
Base-Base interactions energy: -199.761
where: short stacking energy: -80.520
Base-Backbone interact. energy: 0.266
local terms energy: -97.249633
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -23.964
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: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -281.144959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.144959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.144959 (E_RNA)
where:
Base-Base interactions energy: -204.022
where: short stacking energy: -83.151
Base-Backbone interact. energy: -0.069
local terms energy: -77.053540
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -23.119
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: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -288.478563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.478563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.478563 (E_RNA)
where:
Base-Base interactions energy: -196.996
where: short stacking energy: -84.230
Base-Backbone interact. energy: -0.099
local terms energy: -91.383189
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -263.725281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.725281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.725281 (E_RNA)
where:
Base-Base interactions energy: -176.951
where: short stacking energy: -84.001
Base-Backbone interact. energy: -0.001
local terms energy: -86.772685
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -25.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -241.133422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.133422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.133422 (E_RNA)
where:
Base-Base interactions energy: -159.475
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.114
local terms energy: -81.545124
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -177.790385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.790385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.790385 (E_RNA)
where:
Base-Base interactions energy: -108.300
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.272
local terms energy: -69.218388
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -94.365554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.365554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.365554 (E_RNA)
where:
Base-Base interactions energy: -29.431
where: short stacking energy: -28.357
Base-Backbone interact. energy: 0.244
local terms energy: -65.178441
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -5.354
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: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -101.282505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.282505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.282505 (E_RNA)
where:
Base-Base interactions energy: -35.546
where: short stacking energy: -34.771
Base-Backbone interact. energy: -1.653
local terms energy: -64.083175
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -2.970
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: 177
Temperature: 1.350000
Total energy: -93.295858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.295858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.295858 (E_RNA)
where:
Base-Base interactions energy: -30.939
where: short stacking energy: -23.859
Base-Backbone interact. energy: 0.966
local terms energy: -63.323661
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -302.444893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.444893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.444893 (E_RNA)
where:
Base-Base interactions energy: -205.715
where: short stacking energy: -90.519
Base-Backbone interact. energy: -0.091
local terms energy: -96.639012
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -288.116965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.116965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.116965 (E_RNA)
where:
Base-Base interactions energy: -204.373
where: short stacking energy: -71.040
Base-Backbone interact. energy: -0.364
local terms energy: -83.380022
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -291.214627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.214627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.214627 (E_RNA)
where:
Base-Base interactions energy: -187.872
where: short stacking energy: -76.454
Base-Backbone interact. energy: -0.005
local terms energy: -103.338014
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -25.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -276.431067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.431067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.431067 (E_RNA)
where:
Base-Base interactions energy: -189.415
where: short stacking energy: -78.559
Base-Backbone interact. energy: -0.007
local terms energy: -87.009022
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -278.032468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.032468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.032468 (E_RNA)
where:
Base-Base interactions energy: -183.750
where: short stacking energy: -65.446
Base-Backbone interact. energy: -0.085
local terms energy: -94.196921
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -22.705
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: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -253.682485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.682485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.682485 (E_RNA)
where:
Base-Base interactions energy: -180.498
where: short stacking energy: -90.049
Base-Backbone interact. energy: -0.057
local terms energy: -73.127544
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -25.812
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: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -117.677789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.677789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.677789 (E_RNA)
where:
Base-Base interactions energy: -57.567
where: short stacking energy: -41.845
Base-Backbone interact. energy: -0.213
local terms energy: -59.897383
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -147.055504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.055504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.055504 (E_RNA)
where:
Base-Base interactions energy: -83.014
where: short stacking energy: -39.769
Base-Backbone interact. energy: -0.720
local terms energy: -63.321310
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -7.551
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -94.517307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.517307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.517307 (E_RNA)
where:
Base-Base interactions energy: -33.019
where: short stacking energy: -32.314
Base-Backbone interact. energy: -0.044
local terms energy: -61.454699
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -87.095656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.095656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.095656 (E_RNA)
where:
Base-Base interactions energy: -31.721
where: short stacking energy: -20.900
Base-Backbone interact. energy: -0.153
local terms energy: -55.221939
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -287.580286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.580286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.580286 (E_RNA)
where:
Base-Base interactions energy: -199.327
where: short stacking energy: -78.629
Base-Backbone interact. energy: -0.023
local terms energy: -88.231074
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -274.779097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.779097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.779097 (E_RNA)
where:
Base-Base interactions energy: -178.603
where: short stacking energy: -77.542
Base-Backbone interact. energy: -0.033
local terms energy: -96.142875
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -22.364
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: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -282.947053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.947053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.947053 (E_RNA)
where:
Base-Base interactions energy: -194.695
where: short stacking energy: -81.100
Base-Backbone interact. energy: 3.277
local terms energy: -91.529163
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -13.350
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: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -264.770818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.770818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.770818 (E_RNA)
where:
Base-Base interactions energy: -179.919
where: short stacking energy: -82.849
Base-Backbone interact. energy: -0.107
local terms energy: -84.744309
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -22.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -268.968519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.968519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.968519 (E_RNA)
where:
Base-Base interactions energy: -171.807
where: short stacking energy: -78.094
Base-Backbone interact. energy: -0.044
local terms energy: -97.117815
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -26.752
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: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -245.294581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.294581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.294581 (E_RNA)
where:
Base-Base interactions energy: -162.455
where: short stacking energy: -73.537
Base-Backbone interact. energy: -0.028
local terms energy: -82.811272
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -14.232
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: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -117.354398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.354398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.354398 (E_RNA)
where:
Base-Base interactions energy: -52.466
where: short stacking energy: -40.126
Base-Backbone interact. energy: 0.437
local terms energy: -65.325979
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -103.547922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.547922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.547922 (E_RNA)
where:
Base-Base interactions energy: -39.363
where: short stacking energy: -37.950
Base-Backbone interact. energy: -0.142
local terms energy: -64.043072
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -7.100
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -97.253287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.253287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.253287 (E_RNA)
where:
Base-Base interactions energy: -31.538
where: short stacking energy: -31.538
Base-Backbone interact. energy: -0.255
local terms energy: -65.459596
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -3.485
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: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -89.276180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.276180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.276180 (E_RNA)
where:
Base-Base interactions energy: -25.624
where: short stacking energy: -21.252
Base-Backbone interact. energy: 0.442
local terms energy: -64.093865
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: 0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -296.353447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.353447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.353447 (E_RNA)
where:
Base-Base interactions energy: -201.655
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.513
local terms energy: -94.185028
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -25.474
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: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -287.724979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.724979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.724979 (E_RNA)
where:
Base-Base interactions energy: -184.067
where: short stacking energy: -89.786
Base-Backbone interact. energy: -1.445
local terms energy: -102.212674
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -27.774
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: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -290.213796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.213796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.213796 (E_RNA)
where:
Base-Base interactions energy: -200.733
where: short stacking energy: -87.208
Base-Backbone interact. energy: -0.370
local terms energy: -89.111524
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -279.735364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.735364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.735364 (E_RNA)
where:
Base-Base interactions energy: -191.899
where: short stacking energy: -81.959
Base-Backbone interact. energy: -0.050
local terms energy: -87.785689
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -266.676905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.676905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.676905 (E_RNA)
where:
Base-Base interactions energy: -177.753
where: short stacking energy: -73.805
Base-Backbone interact. energy: -0.005
local terms energy: -88.919157
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -24.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -239.244580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.244580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.244580 (E_RNA)
where:
Base-Base interactions energy: -153.083
where: short stacking energy: -71.610
Base-Backbone interact. energy: -0.215
local terms energy: -85.947066
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -110.553300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.553300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.553300 (E_RNA)
where:
Base-Base interactions energy: -44.990
where: short stacking energy: -39.406
Base-Backbone interact. energy: -0.106
local terms energy: -65.456997
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -7.896
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: 180
Temperature: 1.250000
Total energy: -92.231120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.231120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.231120 (E_RNA)
where:
Base-Base interactions energy: -38.328
where: short stacking energy: -21.422
Base-Backbone interact. energy: -0.342
local terms energy: -53.560759
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -101.196334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.196334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.196334 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -38.976
Base-Backbone interact. energy: -0.075
local terms energy: -59.754586
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -83.006201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.006201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.006201 (E_RNA)
where:
Base-Base interactions energy: -22.357
where: short stacking energy: -21.894
Base-Backbone interact. energy: -0.159
local terms energy: -60.490439
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: 1.253
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: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -296.643307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.643307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.643307 (E_RNA)
where:
Base-Base interactions energy: -200.150
where: short stacking energy: -82.800
Base-Backbone interact. energy: -0.006
local terms energy: -96.486911
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -24.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -286.518437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.518437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.518437 (E_RNA)
where:
Base-Base interactions energy: -190.668
where: short stacking energy: -90.736
Base-Backbone interact. energy: -0.003
local terms energy: -95.847281
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -16.553
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: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -300.033290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.033290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.033290 (E_RNA)
where:
Base-Base interactions energy: -213.187
where: short stacking energy: -80.984
Base-Backbone interact. energy: -0.461
local terms energy: -86.385243
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -20.635
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: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -279.718165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.718165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.718165 (E_RNA)
where:
Base-Base interactions energy: -190.782
where: short stacking energy: -82.162
Base-Backbone interact. energy: -0.409
local terms energy: -88.527806
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -24.026
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: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -283.760516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.760516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.760516 (E_RNA)
where:
Base-Base interactions energy: -200.389
where: short stacking energy: -83.197
Base-Backbone interact. energy: -0.094
local terms energy: -83.277217
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -249.203383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.203383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.203383 (E_RNA)
where:
Base-Base interactions energy: -165.001
where: short stacking energy: -71.237
Base-Backbone interact. energy: -0.007
local terms energy: -84.195318
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -99.325746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.325746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.325746 (E_RNA)
where:
Base-Base interactions energy: -41.067
where: short stacking energy: -37.668
Base-Backbone interact. energy: -0.238
local terms energy: -58.020909
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -2.754
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -96.962087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.962087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.962087 (E_RNA)
where:
Base-Base interactions energy: -33.938
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.089
local terms energy: -62.935051
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -5.808
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: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -99.808887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.808887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.808887 (E_RNA)
where:
Base-Base interactions energy: -43.050
where: short stacking energy: -33.788
Base-Backbone interact. energy: 0.614
local terms energy: -57.373328
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -120.603344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.603344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.603344 (E_RNA)
where:
Base-Base interactions energy: -64.790
where: short stacking energy: -28.414
Base-Backbone interact. energy: -1.217
local terms energy: -54.596268
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -298.202544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.202544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.202544 (E_RNA)
where:
Base-Base interactions energy: -205.537
where: short stacking energy: -87.256
Base-Backbone interact. energy: -0.385
local terms energy: -92.280182
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -25.861
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: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -295.921310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.921310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.921310 (E_RNA)
where:
Base-Base interactions energy: -208.510
where: short stacking energy: -81.804
Base-Backbone interact. energy: -0.042
local terms energy: -87.368910
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -27.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -286.095567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.095567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.095567 (E_RNA)
where:
Base-Base interactions energy: -207.296
where: short stacking energy: -71.393
Base-Backbone interact. energy: 3.965
local terms energy: -82.764970
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -272.852515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.852515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.852515 (E_RNA)
where:
Base-Base interactions energy: -184.843
where: short stacking energy: -77.236
Base-Backbone interact. energy: -0.001
local terms energy: -88.008706
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -266.409451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.409451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.409451 (E_RNA)
where:
Base-Base interactions energy: -179.094
where: short stacking energy: -88.373
Base-Backbone interact. energy: -0.486
local terms energy: -86.829287
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -25.625
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: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -256.529908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.529908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.529908 (E_RNA)
where:
Base-Base interactions energy: -169.032
where: short stacking energy: -81.730
Base-Backbone interact. energy: -0.104
local terms energy: -87.394398
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -9.577
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: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -108.116785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.116785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.116785 (E_RNA)
where:
Base-Base interactions energy: -39.326
where: short stacking energy: -28.138
Base-Backbone interact. energy: -0.353
local terms energy: -68.437205
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -5.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -94.899287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.899287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.899287 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -36.954
Base-Backbone interact. energy: -0.305
local terms energy: -56.948176
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: 1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -96.951753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.951753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.951753 (E_RNA)
where:
Base-Base interactions energy: -36.277
where: short stacking energy: -23.444
Base-Backbone interact. energy: -0.146
local terms energy: -60.529494
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -4.508
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: 182
Temperature: 1.350000
Total energy: -85.439798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439798 (E_RNA)
where:
Base-Base interactions energy: -27.812
where: short stacking energy: -27.812
Base-Backbone interact. energy: -0.098
local terms energy: -57.530344
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -3.626
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: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -291.964807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.964807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.964807 (E_RNA)
where:
Base-Base interactions energy: -195.211
where: short stacking energy: -82.915
Base-Backbone interact. energy: 0.746
local terms energy: -97.499727
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -284.427434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.427434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.427434 (E_RNA)
where:
Base-Base interactions energy: -189.308
where: short stacking energy: -76.094
Base-Backbone interact. energy: -0.023
local terms energy: -95.096442
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -268.858732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.858732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.858732 (E_RNA)
where:
Base-Base interactions energy: -186.313
where: short stacking energy: -69.678
Base-Backbone interact. energy: -0.396
local terms energy: -82.149360
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -12.107
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: 183
Temperature: 1.050000
Total energy: -277.756518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.756518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.756518 (E_RNA)
where:
Base-Base interactions energy: -186.387
where: short stacking energy: -82.826
Base-Backbone interact. energy: -0.518
local terms energy: -90.852039
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -266.457640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.457640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.457640 (E_RNA)
where:
Base-Base interactions energy: -173.239
where: short stacking energy: -82.073
Base-Backbone interact. energy: -0.003
local terms energy: -93.215551
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -12.629
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: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -249.917262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.917262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.917262 (E_RNA)
where:
Base-Base interactions energy: -159.742
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.194
local terms energy: -89.981676
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -21.991
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: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -101.324306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.324306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.324306 (E_RNA)
where:
Base-Base interactions energy: -40.827
where: short stacking energy: -25.265
Base-Backbone interact. energy: 0.813
local terms energy: -61.310384
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -11.151
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: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -108.935164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.935164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.935164 (E_RNA)
where:
Base-Base interactions energy: -43.081
where: short stacking energy: -43.081
Base-Backbone interact. energy: -0.136
local terms energy: -65.717673
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -91.170208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.170208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.170208 (E_RNA)
where:
Base-Base interactions energy: -28.290
where: short stacking energy: -27.616
Base-Backbone interact. energy: 2.796
local terms energy: -65.676637
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -11.633
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: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -89.066237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.066237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.066237 (E_RNA)
where:
Base-Base interactions energy: -36.748
where: short stacking energy: -27.870
Base-Backbone interact. energy: -0.109
local terms energy: -52.209891
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -2.530
tors. eta vs tors. theta energy: 0.004
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: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -303.233960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.233960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.233960 (E_RNA)
where:
Base-Base interactions energy: -205.723
where: short stacking energy: -88.086
Base-Backbone interact. energy: -0.093
local terms energy: -97.417783
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -12.354
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: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -292.188266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.188266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.188266 (E_RNA)
where:
Base-Base interactions energy: -197.571
where: short stacking energy: -79.215
Base-Backbone interact. energy: -0.626
local terms energy: -93.991383
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -284.603572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.603572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.603572 (E_RNA)
where:
Base-Base interactions energy: -186.659
where: short stacking energy: -91.398
Base-Backbone interact. energy: -0.001
local terms energy: -97.942779
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -271.507603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.507603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.507603 (E_RNA)
where:
Base-Base interactions energy: -188.549
where: short stacking energy: -73.820
Base-Backbone interact. energy: -0.101
local terms energy: -82.857709
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -267.752947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.752947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.752947 (E_RNA)
where:
Base-Base interactions energy: -179.879
where: short stacking energy: -80.090
Base-Backbone interact. energy: -0.007
local terms energy: -87.866923
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -24.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -245.024577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.024577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.024577 (E_RNA)
where:
Base-Base interactions energy: -168.287
where: short stacking energy: -68.291
Base-Backbone interact. energy: -0.430
local terms energy: -76.307881
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -96.615501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.615501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.615501 (E_RNA)
where:
Base-Base interactions energy: -31.783
where: short stacking energy: -31.783
Base-Backbone interact. energy: -0.068
local terms energy: -64.764563
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -102.231275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.231275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.231275 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -31.067
Base-Backbone interact. energy: 0.108
local terms energy: -66.280496
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -12.321
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: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -115.309734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.309734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.309734 (E_RNA)
where:
Base-Base interactions energy: -41.794
where: short stacking energy: -41.794
Base-Backbone interact. energy: -0.088
local terms energy: -73.428078
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -8.044
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: 184
Temperature: 1.350000
Total energy: -86.286976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.286976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.286976 (E_RNA)
where:
Base-Base interactions energy: -29.897
where: short stacking energy: -19.779
Base-Backbone interact. energy: -0.163
local terms energy: -56.226448
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: 6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -296.440115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.440115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.440115 (E_RNA)
where:
Base-Base interactions energy: -202.098
where: short stacking energy: -75.881
Base-Backbone interact. energy: -0.067
local terms energy: -94.274681
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -20.666
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: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -279.073124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.073124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.073124 (E_RNA)
where:
Base-Base interactions energy: -185.063
where: short stacking energy: -78.596
Base-Backbone interact. energy: -0.140
local terms energy: -93.870511
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -24.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -286.276552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.276552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.276552 (E_RNA)
where:
Base-Base interactions energy: -197.274
where: short stacking energy: -83.531
Base-Backbone interact. energy: -0.018
local terms energy: -88.983865
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -12.338
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: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -273.596284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.596284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.596284 (E_RNA)
where:
Base-Base interactions energy: -190.272
where: short stacking energy: -72.453
Base-Backbone interact. energy: -0.216
local terms energy: -83.108394
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -274.774743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.774743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.774743 (E_RNA)
where:
Base-Base interactions energy: -183.716
where: short stacking energy: -76.483
Base-Backbone interact. energy: -0.654
local terms energy: -90.405207
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -22.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -237.297967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.297967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.297967 (E_RNA)
where:
Base-Base interactions energy: -161.901
where: short stacking energy: -70.242
Base-Backbone interact. energy: -0.920
local terms energy: -74.476858
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -10.603
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: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -97.831251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.831251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.831251 (E_RNA)
where:
Base-Base interactions energy: -31.339
where: short stacking energy: -30.761
Base-Backbone interact. energy: -0.242
local terms energy: -66.249916
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -2.129
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: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -99.711206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.711206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.711206 (E_RNA)
where:
Base-Base interactions energy: -44.495
where: short stacking energy: -34.818
Base-Backbone interact. energy: -0.185
local terms energy: -55.031019
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -104.298707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.298707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.298707 (E_RNA)
where:
Base-Base interactions energy: -37.180
where: short stacking energy: -29.180
Base-Backbone interact. energy: 0.401
local terms energy: -67.519757
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -7.525
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: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -83.849586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.849586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.849586 (E_RNA)
where:
Base-Base interactions energy: -27.706
where: short stacking energy: -24.203
Base-Backbone interact. energy: -0.220
local terms energy: -55.923157
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.196
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: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -291.524834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.524834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.524834 (E_RNA)
where:
Base-Base interactions energy: -196.877
where: short stacking energy: -91.486
Base-Backbone interact. energy: -0.430
local terms energy: -94.218333
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -28.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -287.004234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.004234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.004234 (E_RNA)
where:
Base-Base interactions energy: -194.621
where: short stacking energy: -87.330
Base-Backbone interact. energy: -0.100
local terms energy: -92.283515
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -293.169197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.169197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.169197 (E_RNA)
where:
Base-Base interactions energy: -200.147
where: short stacking energy: -81.707
Base-Backbone interact. energy: 1.921
local terms energy: -94.942288
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -272.241892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.241892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.241892 (E_RNA)
where:
Base-Base interactions energy: -182.400
where: short stacking energy: -80.455
Base-Backbone interact. energy: 0.249
local terms energy: -90.090915
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -13.052
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: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -248.280937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.280937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.280937 (E_RNA)
where:
Base-Base interactions energy: -167.364
where: short stacking energy: -72.720
Base-Backbone interact. energy: -0.174
local terms energy: -80.743210
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -17.547
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: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -252.534292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.534292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.534292 (E_RNA)
where:
Base-Base interactions energy: -166.512
where: short stacking energy: -66.710
Base-Backbone interact. energy: -0.032
local terms energy: -85.990363
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -103.521269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.521269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.521269 (E_RNA)
where:
Base-Base interactions energy: -38.017
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.099
local terms energy: -65.405411
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -7.710
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -87.780992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.780992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.780992 (E_RNA)
where:
Base-Base interactions energy: -31.953
where: short stacking energy: -29.404
Base-Backbone interact. energy: 1.451
local terms energy: -57.278048
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: 1.288
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: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -87.416277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.416277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.416277 (E_RNA)
where:
Base-Base interactions energy: -28.638
where: short stacking energy: -19.060
Base-Backbone interact. energy: 0.199
local terms energy: -58.976531
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -88.846121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.846121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.846121 (E_RNA)
where:
Base-Base interactions energy: -32.650
where: short stacking energy: -29.906
Base-Backbone interact. energy: -0.507
local terms energy: -55.688673
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -1.979
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: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -289.156402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.156402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.156402 (E_RNA)
where:
Base-Base interactions energy: -190.740
where: short stacking energy: -85.391
Base-Backbone interact. energy: -0.048
local terms energy: -98.369197
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -27.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -278.850538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.850538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.850538 (E_RNA)
where:
Base-Base interactions energy: -192.631
where: short stacking energy: -74.754
Base-Backbone interact. energy: 0.352
local terms energy: -86.571974
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -278.246881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.246881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.246881 (E_RNA)
where:
Base-Base interactions energy: -188.279
where: short stacking energy: -78.844
Base-Backbone interact. energy: -0.092
local terms energy: -89.875690
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -23.777
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: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -283.106460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.106460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.106460 (E_RNA)
where:
Base-Base interactions energy: -186.984
where: short stacking energy: -80.664
Base-Backbone interact. energy: -0.117
local terms energy: -96.005273
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -13.387
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: 187
Temperature: 1.100000
Total energy: -254.067130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.067130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.067130 (E_RNA)
where:
Base-Base interactions energy: -170.091
where: short stacking energy: -73.266
Base-Backbone interact. energy: -0.183
local terms energy: -83.792670
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -242.264900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.264900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.264900 (E_RNA)
where:
Base-Base interactions energy: -160.487
where: short stacking energy: -63.772
Base-Backbone interact. energy: -0.145
local terms energy: -81.632414
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -155.364574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.364574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.364574 (E_RNA)
where:
Base-Base interactions energy: -77.773
where: short stacking energy: -52.870
Base-Backbone interact. energy: -0.010
local terms energy: -77.582009
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -99.717831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.717831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.717831 (E_RNA)
where:
Base-Base interactions energy: -51.154
where: short stacking energy: -28.126
Base-Backbone interact. energy: -0.647
local terms energy: -47.916859
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -2.594
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -94.225608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.225608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.225608 (E_RNA)
where:
Base-Base interactions energy: -34.014
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.088
local terms energy: -60.123348
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -120.848787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.848787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.848787 (E_RNA)
where:
Base-Base interactions energy: -56.232
where: short stacking energy: -30.392
Base-Backbone interact. energy: -0.148
local terms energy: -64.469209
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -4.428
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: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -303.126632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.126632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.126632 (E_RNA)
where:
Base-Base interactions energy: -214.310
where: short stacking energy: -75.253
Base-Backbone interact. energy: -0.693
local terms energy: -88.124012
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -21.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -292.578015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.578015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.578015 (E_RNA)
where:
Base-Base interactions energy: -200.201
where: short stacking energy: -88.191
Base-Backbone interact. energy: -0.989
local terms energy: -91.387209
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -25.326
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: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -286.970255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.970255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.970255 (E_RNA)
where:
Base-Base interactions energy: -192.176
where: short stacking energy: -83.472
Base-Backbone interact. energy: 0.560
local terms energy: -95.354013
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -20.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -283.734192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.734192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.734192 (E_RNA)
where:
Base-Base interactions energy: -186.186
where: short stacking energy: -78.577
Base-Backbone interact. energy: -0.626
local terms energy: -96.921791
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -25.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -243.274507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.274507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.274507 (E_RNA)
where:
Base-Base interactions energy: -148.961
where: short stacking energy: -64.156
Base-Backbone interact. energy: -0.130
local terms energy: -94.183677
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -15.492
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: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -233.548753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548753 (E_RNA)
where:
Base-Base interactions energy: -147.699
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.078
local terms energy: -85.771288
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -138.820892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.820892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.820892 (E_RNA)
where:
Base-Base interactions energy: -80.062
where: short stacking energy: -38.798
Base-Backbone interact. energy: -0.416
local terms energy: -58.342183
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -10.803
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: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -102.593132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.593132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.593132 (E_RNA)
where:
Base-Base interactions energy: -41.012
where: short stacking energy: -41.012
Base-Backbone interact. energy: -0.140
local terms energy: -61.440876
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -1.802
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -97.962129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.962129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.962129 (E_RNA)
where:
Base-Base interactions energy: -44.445
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.085
local terms energy: -53.432775
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -12.132
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: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -90.199213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.199213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.199213 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -26.744
Base-Backbone interact. energy: -0.392
local terms energy: -59.740916
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -0.650
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: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -299.554586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.554586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.554586 (E_RNA)
where:
Base-Base interactions energy: -208.704
where: short stacking energy: -77.458
Base-Backbone interact. energy: 1.175
local terms energy: -92.026196
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -21.582
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: 189
Temperature: 0.950000
Total energy: -298.675184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.675184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.675184 (E_RNA)
where:
Base-Base interactions energy: -208.009
where: short stacking energy: -87.391
Base-Backbone interact. energy: -0.059
local terms energy: -90.606749
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -286.945184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.945184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.945184 (E_RNA)
where:
Base-Base interactions energy: -193.291
where: short stacking energy: -81.089
Base-Backbone interact. energy: -0.008
local terms energy: -93.646444
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -277.970420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.970420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.970420 (E_RNA)
where:
Base-Base interactions energy: -187.110
where: short stacking energy: -79.711
Base-Backbone interact. energy: -0.062
local terms energy: -90.798315
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -259.972444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.972444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.972444 (E_RNA)
where:
Base-Base interactions energy: -178.130
where: short stacking energy: -67.570
Base-Backbone interact. energy: -0.059
local terms energy: -81.783264
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -21.219
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: -231.337853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.337853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.337853 (E_RNA)
where:
Base-Base interactions energy: -147.679
where: short stacking energy: -71.250
Base-Backbone interact. energy: 0.946
local terms energy: -84.605208
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -13.148
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: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -100.396430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.396430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.396430 (E_RNA)
where:
Base-Base interactions energy: -39.795
where: short stacking energy: -27.798
Base-Backbone interact. energy: -0.311
local terms energy: -60.291227
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -96.784485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.784485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.784485 (E_RNA)
where:
Base-Base interactions energy: -25.224
where: short stacking energy: -23.786
Base-Backbone interact. energy: -0.159
local terms energy: -71.401439
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -90.800112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.800112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.800112 (E_RNA)
where:
Base-Base interactions energy: -40.450
where: short stacking energy: -29.192
Base-Backbone interact. energy: -0.044
local terms energy: -50.306208
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -6.961
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: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -79.916274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.916274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.916274 (E_RNA)
where:
Base-Base interactions energy: -34.004
where: short stacking energy: -32.860
Base-Backbone interact. energy: -0.179
local terms energy: -45.733731
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -9.465
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -1.811
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: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -293.793484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.793484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.793484 (E_RNA)
where:
Base-Base interactions energy: -200.698
where: short stacking energy: -81.444
Base-Backbone interact. energy: -0.109
local terms energy: -92.986163
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -285.274470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.274470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.274470 (E_RNA)
where:
Base-Base interactions energy: -199.895
where: short stacking energy: -80.282
Base-Backbone interact. energy: 2.632
local terms energy: -88.011217
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -22.806
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: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -286.435454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.435454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.435454 (E_RNA)
where:
Base-Base interactions energy: -189.008
where: short stacking energy: -87.779
Base-Backbone interact. energy: -0.055
local terms energy: -97.372725
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -27.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -270.185756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.185756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.185756 (E_RNA)
where:
Base-Base interactions energy: -177.079
where: short stacking energy: -85.305
Base-Backbone interact. energy: -0.091
local terms energy: -93.015668
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -26.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -265.756733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.756733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.756733 (E_RNA)
where:
Base-Base interactions energy: -176.836
where: short stacking energy: -75.603
Base-Backbone interact. energy: 0.949
local terms energy: -89.869870
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -243.591519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.591519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.591519 (E_RNA)
where:
Base-Base interactions energy: -169.540
where: short stacking energy: -72.934
Base-Backbone interact. energy: -0.068
local terms energy: -73.983373
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -133.923564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.923564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.923564 (E_RNA)
where:
Base-Base interactions energy: -75.794
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.071
local terms energy: -58.059343
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -103.750762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.750762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.750762 (E_RNA)
where:
Base-Base interactions energy: -34.161
where: short stacking energy: -34.161
Base-Backbone interact. energy: -0.065
local terms energy: -69.524996
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.805
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: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -97.657676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.657676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.657676 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -21.006
Base-Backbone interact. energy: -1.548
local terms energy: -65.287856
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -84.065718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.065718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.065718 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -29.320
Base-Backbone interact. energy: -0.101
local terms energy: -48.030201
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.254
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: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -289.122294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.122294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.122294 (E_RNA)
where:
Base-Base interactions energy: -194.493
where: short stacking energy: -82.035
Base-Backbone interact. energy: -0.085
local terms energy: -94.543778
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -27.167
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: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -291.546455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.546455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.546455 (E_RNA)
where:
Base-Base interactions energy: -197.912
where: short stacking energy: -85.507
Base-Backbone interact. energy: 3.002
local terms energy: -96.635764
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -13.249
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: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -277.093289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.093289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.093289 (E_RNA)
where:
Base-Base interactions energy: -180.759
where: short stacking energy: -84.554
Base-Backbone interact. energy: -0.112
local terms energy: -96.222146
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -13.064
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -278.967576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.967576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.967576 (E_RNA)
where:
Base-Base interactions energy: -189.672
where: short stacking energy: -87.220
Base-Backbone interact. energy: -0.018
local terms energy: -89.277718
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -13.597
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: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -268.854868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.854868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.854868 (E_RNA)
where:
Base-Base interactions energy: -180.477
where: short stacking energy: -83.682
Base-Backbone interact. energy: -0.093
local terms energy: -88.284961
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -26.663
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: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -237.714988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.714988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.714988 (E_RNA)
where:
Base-Base interactions energy: -170.153
where: short stacking energy: -73.273
Base-Backbone interact. energy: 0.374
local terms energy: -67.935939
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -104.535395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.535395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.535395 (E_RNA)
where:
Base-Base interactions energy: -42.152
where: short stacking energy: -32.693
Base-Backbone interact. energy: -0.920
local terms energy: -61.464068
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -113.299740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.299740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.299740 (E_RNA)
where:
Base-Base interactions energy: -48.636
where: short stacking energy: -44.947
Base-Backbone interact. energy: -0.076
local terms energy: -64.587846
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -83.490009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.490009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.490009 (E_RNA)
where:
Base-Base interactions energy: -24.794
where: short stacking energy: -24.636
Base-Backbone interact. energy: 0.884
local terms energy: -59.579956
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -93.994054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.994054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.994054 (E_RNA)
where:
Base-Base interactions energy: -35.413
where: short stacking energy: -35.413
Base-Backbone interact. energy: 0.362
local terms energy: -58.942962
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -3.809
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: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -299.167416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.167416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.167416 (E_RNA)
where:
Base-Base interactions energy: -201.957
where: short stacking energy: -80.935
Base-Backbone interact. energy: -0.300
local terms energy: -96.909861
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -14.765
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: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -288.782025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.782025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.782025 (E_RNA)
where:
Base-Base interactions energy: -200.552
where: short stacking energy: -83.787
Base-Backbone interact. energy: -0.019
local terms energy: -88.211200
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -24.051
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: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -278.061553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.061553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.061553 (E_RNA)
where:
Base-Base interactions energy: -186.483
where: short stacking energy: -84.602
Base-Backbone interact. energy: 0.603
local terms energy: -92.180746
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -279.393481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.393481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.393481 (E_RNA)
where:
Base-Base interactions energy: -191.292
where: short stacking energy: -85.382
Base-Backbone interact. energy: -0.276
local terms energy: -87.826285
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -24.869
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: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -261.537838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.537838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.537838 (E_RNA)
where:
Base-Base interactions energy: -179.702
where: short stacking energy: -76.969
Base-Backbone interact. energy: -0.304
local terms energy: -81.532255
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -234.848414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.848414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.848414 (E_RNA)
where:
Base-Base interactions energy: -153.923
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.020
local terms energy: -80.905442
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -100.431750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.431750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.431750 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -34.658
Base-Backbone interact. energy: -0.210
local terms energy: -65.563791
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -3.520
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: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -94.726917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.726917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.726917 (E_RNA)
where:
Base-Base interactions energy: -30.384
where: short stacking energy: -27.309
Base-Backbone interact. energy: -0.115
local terms energy: -64.228282
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -101.177809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.177809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.177809 (E_RNA)
where:
Base-Base interactions energy: -39.978
where: short stacking energy: -33.213
Base-Backbone interact. energy: -0.165
local terms energy: -61.034516
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -88.373842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373842 (E_RNA)
where:
Base-Base interactions energy: -21.535
where: short stacking energy: -20.429
Base-Backbone interact. energy: -0.114
local terms energy: -66.724526
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -4.029
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: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -297.446916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.446916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.446916 (E_RNA)
where:
Base-Base interactions energy: -205.042
where: short stacking energy: -77.850
Base-Backbone interact. energy: -0.210
local terms energy: -92.195305
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -13.172
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: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -280.067588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.067588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.067588 (E_RNA)
where:
Base-Base interactions energy: -182.063
where: short stacking energy: -84.932
Base-Backbone interact. energy: -0.319
local terms energy: -97.684853
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -275.160029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.160029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.160029 (E_RNA)
where:
Base-Base interactions energy: -183.329
where: short stacking energy: -79.812
Base-Backbone interact. energy: -0.079
local terms energy: -91.751710
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -15.298
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: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -258.360535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.360535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.360535 (E_RNA)
where:
Base-Base interactions energy: -177.897
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.257
local terms energy: -80.206033
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -277.908561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.908561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.908561 (E_RNA)
where:
Base-Base interactions energy: -185.158
where: short stacking energy: -89.165
Base-Backbone interact. energy: -0.014
local terms energy: -92.736607
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -26.431
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: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -236.818176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.818176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.818176 (E_RNA)
where:
Base-Base interactions energy: -152.186
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.178
local terms energy: -84.454346
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -113.149292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.149292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.149292 (E_RNA)
where:
Base-Base interactions energy: -44.640
where: short stacking energy: -40.134
Base-Backbone interact. energy: -0.255
local terms energy: -68.254336
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -103.765773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.765773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.765773 (E_RNA)
where:
Base-Base interactions energy: -44.337
where: short stacking energy: -44.337
Base-Backbone interact. energy: -0.613
local terms energy: -58.815403
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -108.381025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.381025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.381025 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -42.532
Base-Backbone interact. energy: -0.204
local terms energy: -65.644677
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -85.266955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266955 (E_RNA)
where:
Base-Base interactions energy: -28.287
where: short stacking energy: -26.941
Base-Backbone interact. energy: -0.018
local terms energy: -56.962189
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -296.879124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.879124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.879124 (E_RNA)
where:
Base-Base interactions energy: -206.148
where: short stacking energy: -79.869
Base-Backbone interact. energy: 0.602
local terms energy: -91.332901
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -13.069
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: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -289.802393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.802393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.802393 (E_RNA)
where:
Base-Base interactions energy: -199.217
where: short stacking energy: -85.913
Base-Backbone interact. energy: -0.004
local terms energy: -90.581549
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -22.351
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: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -283.853771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.853771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.853771 (E_RNA)
where:
Base-Base interactions energy: -184.166
where: short stacking energy: -80.125
Base-Backbone interact. energy: -0.095
local terms energy: -99.592532
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -23.531
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: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -263.970688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.970688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.970688 (E_RNA)
where:
Base-Base interactions energy: -168.495
where: short stacking energy: -74.535
Base-Backbone interact. energy: -0.008
local terms energy: -95.467569
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -268.366268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.366268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.366268 (E_RNA)
where:
Base-Base interactions energy: -178.347
where: short stacking energy: -77.492
Base-Backbone interact. energy: -0.643
local terms energy: -89.376411
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -11.720
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: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -232.661590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.661590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.661590 (E_RNA)
where:
Base-Base interactions energy: -149.031
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.015
local terms energy: -83.616245
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -114.129969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.129969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.129969 (E_RNA)
where:
Base-Base interactions energy: -51.007
where: short stacking energy: -43.264
Base-Backbone interact. energy: -0.176
local terms energy: -62.946532
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -4.097
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: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -117.520823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.520823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.520823 (E_RNA)
where:
Base-Base interactions energy: -63.153
where: short stacking energy: -42.442
Base-Backbone interact. energy: -0.152
local terms energy: -54.216407
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -6.294
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: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -99.513700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.513700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.513700 (E_RNA)
where:
Base-Base interactions energy: -45.449
where: short stacking energy: -29.639
Base-Backbone interact. energy: 1.275
local terms energy: -55.340051
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -2.168
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -88.767000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.767000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.767000 (E_RNA)
where:
Base-Base interactions energy: -32.570
where: short stacking energy: -24.950
Base-Backbone interact. energy: -0.116
local terms energy: -56.080548
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: 0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -296.996769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.996769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.996769 (E_RNA)
where:
Base-Base interactions energy: -209.241
where: short stacking energy: -85.452
Base-Backbone interact. energy: -0.188
local terms energy: -87.567941
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -284.440468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.440468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.440468 (E_RNA)
where:
Base-Base interactions energy: -194.356
where: short stacking energy: -100.061
Base-Backbone interact. energy: -0.002
local terms energy: -90.082787
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -29.419
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: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -282.901480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.901480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.901480 (E_RNA)
where:
Base-Base interactions energy: -189.868
where: short stacking energy: -78.286
Base-Backbone interact. energy: -0.066
local terms energy: -92.967060
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -23.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -276.211860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.211860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.211860 (E_RNA)
where:
Base-Base interactions energy: -183.649
where: short stacking energy: -79.163
Base-Backbone interact. energy: -0.129
local terms energy: -92.434180
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -23.778
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: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -268.594139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.594139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.594139 (E_RNA)
where:
Base-Base interactions energy: -175.729
where: short stacking energy: -77.090
Base-Backbone interact. energy: -0.001
local terms energy: -92.864462
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -12.204
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: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -243.631606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.631606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.631606 (E_RNA)
where:
Base-Base interactions energy: -169.120
where: short stacking energy: -68.500
Base-Backbone interact. energy: -0.580
local terms energy: -73.931576
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -102.438505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.438505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.438505 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -22.034
Base-Backbone interact. energy: -0.276
local terms energy: -68.086500
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -117.284616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.284616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.284616 (E_RNA)
where:
Base-Base interactions energy: -48.332
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.210
local terms energy: -68.742499
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -102.866830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.866830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.866830 (E_RNA)
where:
Base-Base interactions energy: -41.725
where: short stacking energy: -29.881
Base-Backbone interact. energy: -0.102
local terms energy: -61.039238
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -6.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -91.648073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.648073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.648073 (E_RNA)
where:
Base-Base interactions energy: -32.385
where: short stacking energy: -27.737
Base-Backbone interact. energy: -0.115
local terms energy: -59.147939
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -3.668
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: 196
Temperature: 0.900000
Total energy: -293.902389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.902389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.902389 (E_RNA)
where:
Base-Base interactions energy: -196.402
where: short stacking energy: -86.740
Base-Backbone interact. energy: -0.701
local terms energy: -96.799613
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -26.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -299.753949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.753949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.753949 (E_RNA)
where:
Base-Base interactions energy: -207.291
where: short stacking energy: -86.174
Base-Backbone interact. energy: 0.160
local terms energy: -92.623376
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -242.110424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.110424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.110424 (E_RNA)
where:
Base-Base interactions energy: -153.443
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.077
local terms energy: -88.590152
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -285.285304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.285304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.285304 (E_RNA)
where:
Base-Base interactions energy: -196.541
where: short stacking energy: -88.744
Base-Backbone interact. energy: -0.048
local terms energy: -88.696388
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -26.455
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: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -279.159456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.159456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.159456 (E_RNA)
where:
Base-Base interactions energy: -180.306
where: short stacking energy: -79.995
Base-Backbone interact. energy: -0.054
local terms energy: -98.798548
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -26.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -243.268497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.268497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.268497 (E_RNA)
where:
Base-Base interactions energy: -149.273
where: short stacking energy: -74.113
Base-Backbone interact. energy: 0.130
local terms energy: -94.125902
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -105.427604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.427604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.427604 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -25.624
Base-Backbone interact. energy: -0.213
local terms energy: -67.087990
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.017
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: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -127.160713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.160713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.160713 (E_RNA)
where:
Base-Base interactions energy: -55.266
where: short stacking energy: -40.792
Base-Backbone interact. energy: -1.659
local terms energy: -70.235703
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -8.386
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: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -95.363270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.363270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.363270 (E_RNA)
where:
Base-Base interactions energy: -44.245
where: short stacking energy: -26.254
Base-Backbone interact. energy: -0.715
local terms energy: -50.403392
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: 2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -87.808298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.808298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.808298 (E_RNA)
where:
Base-Base interactions energy: -30.570
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.257
local terms energy: -56.981479
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -3.280
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: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -299.457269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.457269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.457269 (E_RNA)
where:
Base-Base interactions energy: -206.681
where: short stacking energy: -80.490
Base-Backbone interact. energy: -0.105
local terms energy: -92.670574
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -290.272361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.272361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.272361 (E_RNA)
where:
Base-Base interactions energy: -197.137
where: short stacking energy: -81.716
Base-Backbone interact. energy: -0.482
local terms energy: -92.653222
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -264.645963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.645963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.645963 (E_RNA)
where:
Base-Base interactions energy: -184.342
where: short stacking energy: -79.312
Base-Backbone interact. energy: 0.589
local terms energy: -80.892958
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -263.549037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.549037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.549037 (E_RNA)
where:
Base-Base interactions energy: -176.668
where: short stacking energy: -76.628
Base-Backbone interact. energy: -0.489
local terms energy: -86.392810
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -22.162
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: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -254.839690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.839690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.839690 (E_RNA)
where:
Base-Base interactions energy: -169.789
where: short stacking energy: -63.802
Base-Backbone interact. energy: -0.072
local terms energy: -84.978786
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -249.223725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.223725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.223725 (E_RNA)
where:
Base-Base interactions energy: -162.778
where: short stacking energy: -79.096
Base-Backbone interact. energy: -0.122
local terms energy: -86.323226
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -105.215907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.215907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.215907 (E_RNA)
where:
Base-Base interactions energy: -34.934
where: short stacking energy: -35.234
Base-Backbone interact. energy: 0.100
local terms energy: -70.382847
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -11.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -112.507691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.507691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.507691 (E_RNA)
where:
Base-Base interactions energy: -57.181
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.338
local terms energy: -54.988504
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -102.991744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.991744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.991744 (E_RNA)
where:
Base-Base interactions energy: -37.966
where: short stacking energy: -37.966
Base-Backbone interact. energy: -0.285
local terms energy: -64.741130
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -88.626842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.626842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.626842 (E_RNA)
where:
Base-Base interactions energy: -39.577
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.250
local terms energy: -48.800441
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -6.042
flat angles P-C4'-P energy: -10.486
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: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -300.678217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.678217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.678217 (E_RNA)
where:
Base-Base interactions energy: -211.002
where: short stacking energy: -90.072
Base-Backbone interact. energy: -0.091
local terms energy: -89.584316
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -26.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -289.356967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.356967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.356967 (E_RNA)
where:
Base-Base interactions energy: -196.920
where: short stacking energy: -84.783
Base-Backbone interact. energy: -0.822
local terms energy: -91.615893
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -11.698
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: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -285.181158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.181158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.181158 (E_RNA)
where:
Base-Base interactions energy: -191.349
where: short stacking energy: -87.319
Base-Backbone interact. energy: -0.087
local terms energy: -93.744663
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -29.005
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: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -251.474451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.474451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.474451 (E_RNA)
where:
Base-Base interactions energy: -173.469
where: short stacking energy: -75.029
Base-Backbone interact. energy: -0.240
local terms energy: -77.765429
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -20.480
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: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -275.074058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.074058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.074058 (E_RNA)
where:
Base-Base interactions energy: -186.906
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.007
local terms energy: -88.161485
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -246.063336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.063336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.063336 (E_RNA)
where:
Base-Base interactions energy: -169.026
where: short stacking energy: -66.332
Base-Backbone interact. energy: -0.241
local terms energy: -76.796892
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -15.408
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: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -138.579388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.579388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.579388 (E_RNA)
where:
Base-Base interactions energy: -69.175
where: short stacking energy: -35.039
Base-Backbone interact. energy: -0.149
local terms energy: -69.255959
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -148.076390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.076390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.076390 (E_RNA)
where:
Base-Base interactions energy: -77.177
where: short stacking energy: -39.924
Base-Backbone interact. energy: 0.821
local terms energy: -71.720433
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -89.523000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.523000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.523000 (E_RNA)
where:
Base-Base interactions energy: -33.940
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.679
local terms energy: -54.904649
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -80.190056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.190056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.190056 (E_RNA)
where:
Base-Base interactions energy: -30.390
where: short stacking energy: -23.731
Base-Backbone interact. energy: -0.358
local terms energy: -49.441992
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: 3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -300.785072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.785072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.785072 (E_RNA)
where:
Base-Base interactions energy: -213.718
where: short stacking energy: -88.153
Base-Backbone interact. energy: -0.111
local terms energy: -86.956269
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -24.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -282.578172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.578172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.578172 (E_RNA)
where:
Base-Base interactions energy: -189.252
where: short stacking energy: -79.017
Base-Backbone interact. energy: 0.978
local terms energy: -94.303894
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -25.528
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: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -284.258936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.258936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.258936 (E_RNA)
where:
Base-Base interactions energy: -196.346
where: short stacking energy: -85.134
Base-Backbone interact. energy: 3.300
local terms energy: -91.212829
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -254.628359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.628359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.628359 (E_RNA)
where:
Base-Base interactions energy: -172.455
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.099
local terms energy: -82.073771
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -8.088
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: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -250.217547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.217547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.217547 (E_RNA)
where:
Base-Base interactions energy: -166.289
where: short stacking energy: -68.641
Base-Backbone interact. energy: -0.188
local terms energy: -83.741279
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -21.759
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: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -233.718138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.718138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.718138 (E_RNA)
where:
Base-Base interactions energy: -155.285
where: short stacking energy: -66.184
Base-Backbone interact. energy: -0.876
local terms energy: -77.557353
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -146.146421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.146421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.146421 (E_RNA)
where:
Base-Base interactions energy: -85.052
where: short stacking energy: -52.396
Base-Backbone interact. energy: -0.147
local terms energy: -60.947553
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -8.440
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: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -143.910926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.910926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.910926 (E_RNA)
where:
Base-Base interactions energy: -77.053
where: short stacking energy: -48.519
Base-Backbone interact. energy: -1.499
local terms energy: -65.359451
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -8.333
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: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -93.819178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.819178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.819178 (E_RNA)
where:
Base-Base interactions energy: -39.241
where: short stacking energy: -39.241
Base-Backbone interact. energy: -0.021
local terms energy: -54.557377
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -92.561309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.561309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.561309 (E_RNA)
where:
Base-Base interactions energy: -37.605
where: short stacking energy: -33.013
Base-Backbone interact. energy: -0.288
local terms energy: -54.668344
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -7.682
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: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -304.551571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.551571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.551571 (E_RNA)
where:
Base-Base interactions energy: -212.067
where: short stacking energy: -88.485
Base-Backbone interact. energy: -0.106
local terms energy: -92.378486
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -289.820369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.820369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.820369 (E_RNA)
where:
Base-Base interactions energy: -185.590
where: short stacking energy: -88.338
Base-Backbone interact. energy: -0.091
local terms energy: -104.140004
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -16.707
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: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -277.622952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.622952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.622952 (E_RNA)
where:
Base-Base interactions energy: -197.434
where: short stacking energy: -76.892
Base-Backbone interact. energy: -1.023
local terms energy: -79.165290
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -248.256655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.256655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.256655 (E_RNA)
where:
Base-Base interactions energy: -165.975
where: short stacking energy: -72.186
Base-Backbone interact. energy: -0.172
local terms energy: -82.108997
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -250.277169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.277169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.277169 (E_RNA)
where:
Base-Base interactions energy: -169.273
where: short stacking energy: -58.082
Base-Backbone interact. energy: -0.166
local terms energy: -80.837699
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -243.671867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.671867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.671867 (E_RNA)
where:
Base-Base interactions energy: -163.485
where: short stacking energy: -72.821
Base-Backbone interact. energy: -0.011
local terms energy: -80.175688
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -119.820938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.820938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.820938 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -24.827
Base-Backbone interact. energy: -0.493
local terms energy: -70.017254
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -101.662787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.662787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.662787 (E_RNA)
where:
Base-Base interactions energy: -34.236
where: short stacking energy: -29.891
Base-Backbone interact. energy: -0.415
local terms energy: -67.011916
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -93.438271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.438271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.438271 (E_RNA)
where:
Base-Base interactions energy: -45.438
where: short stacking energy: -25.580
Base-Backbone interact. energy: -1.946
local terms energy: -46.054026
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: 0.067
tors. eta vs tors. theta energy: 2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -84.328532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.328532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.328532 (E_RNA)
where:
Base-Base interactions energy: -22.749
where: short stacking energy: -21.597
Base-Backbone interact. energy: -0.238
local terms energy: -61.340970
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -3.064
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: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -301.916168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.916168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.916168 (E_RNA)
where:
Base-Base interactions energy: -201.787
where: short stacking energy: -83.729
Base-Backbone interact. energy: -0.065
local terms energy: -100.064132
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -14.784
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: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -297.818502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.818502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.818502 (E_RNA)
where:
Base-Base interactions energy: -212.410
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.047
local terms energy: -85.361874
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -286.267518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.267518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.267518 (E_RNA)
where:
Base-Base interactions energy: -190.312
where: short stacking energy: -81.080
Base-Backbone interact. energy: -0.001
local terms energy: -95.954546
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -261.129469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.129469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.129469 (E_RNA)
where:
Base-Base interactions energy: -175.748
where: short stacking energy: -78.187
Base-Backbone interact. energy: -0.006
local terms energy: -85.374743
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -22.758
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: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -257.764249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.764249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.764249 (E_RNA)
where:
Base-Base interactions energy: -172.238
where: short stacking energy: -76.556
Base-Backbone interact. energy: -0.119
local terms energy: -85.407210
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -257.536651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.536651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.536651 (E_RNA)
where:
Base-Base interactions energy: -172.647
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.043
local terms energy: -84.847150
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -129.000355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.000355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.000355 (E_RNA)
where:
Base-Base interactions energy: -60.195
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.382
local terms energy: -68.423149
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -8.801
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: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -102.082984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.082984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.082984 (E_RNA)
where:
Base-Base interactions energy: -37.556
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.269
local terms energy: -64.257871
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -90.031246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.031246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.031246 (E_RNA)
where:
Base-Base interactions energy: -34.043
where: short stacking energy: -34.043
Base-Backbone interact. energy: -0.166
local terms energy: -55.821716
where:
bonds (distance) C4'-P energy: -7.788
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -88.224855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.224855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.224855 (E_RNA)
where:
Base-Base interactions energy: -29.712
where: short stacking energy: -25.235
Base-Backbone interact. energy: -0.178
local terms energy: -58.334876
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -303.792333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.792333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.792333 (E_RNA)
where:
Base-Base interactions energy: -211.616
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.173
local terms energy: -92.003160
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -12.330
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: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -292.352100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.352100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.352100 (E_RNA)
where:
Base-Base interactions energy: -193.980
where: short stacking energy: -78.923
Base-Backbone interact. energy: -0.064
local terms energy: -98.308189
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -25.927
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: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -277.818092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.818092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.818092 (E_RNA)
where:
Base-Base interactions energy: -191.235
where: short stacking energy: -82.945
Base-Backbone interact. energy: -0.187
local terms energy: -86.395265
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -22.805
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: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -281.213714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.213714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.213714 (E_RNA)
where:
Base-Base interactions energy: -186.429
where: short stacking energy: -82.532
Base-Backbone interact. energy: -0.030
local terms energy: -94.754969
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -260.208170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.208170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.208170 (E_RNA)
where:
Base-Base interactions energy: -177.196
where: short stacking energy: -73.197
Base-Backbone interact. energy: -0.085
local terms energy: -82.927162
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -262.955873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.955873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.955873 (E_RNA)
where:
Base-Base interactions energy: -176.311
where: short stacking energy: -83.405
Base-Backbone interact. energy: -0.008
local terms energy: -86.637048
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -12.889
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: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -134.597660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.597660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.597660 (E_RNA)
where:
Base-Base interactions energy: -73.105
where: short stacking energy: -45.752
Base-Backbone interact. energy: 1.273
local terms energy: -62.765451
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -5.808
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: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -102.410563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.410563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.410563 (E_RNA)
where:
Base-Base interactions energy: -35.842
where: short stacking energy: -35.842
Base-Backbone interact. energy: -0.008
local terms energy: -66.560642
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -89.962915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.962915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.962915 (E_RNA)
where:
Base-Base interactions energy: -37.454
where: short stacking energy: -35.173
Base-Backbone interact. energy: -0.089
local terms energy: -52.420464
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -102.272735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.272735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.272735 (E_RNA)
where:
Base-Base interactions energy: -54.186
where: short stacking energy: -33.394
Base-Backbone interact. energy: 0.167
local terms energy: -48.253566
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -3.863
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: 203
Temperature: 0.900000
Total energy: -300.401175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.401175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.401175 (E_RNA)
where:
Base-Base interactions energy: -216.436
where: short stacking energy: -71.496
Base-Backbone interact. energy: -0.697
local terms energy: -83.267898
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -295.814908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.814908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.814908 (E_RNA)
where:
Base-Base interactions energy: -201.097
where: short stacking energy: -90.208
Base-Backbone interact. energy: -0.084
local terms energy: -94.633654
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -21.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -285.879724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.879724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.879724 (E_RNA)
where:
Base-Base interactions energy: -199.529
where: short stacking energy: -85.673
Base-Backbone interact. energy: -0.304
local terms energy: -86.047315
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -22.186
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: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -254.080477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.080477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.080477 (E_RNA)
where:
Base-Base interactions energy: -173.563
where: short stacking energy: -73.694
Base-Backbone interact. energy: -0.351
local terms energy: -80.166488
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -261.455536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.455536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.455536 (E_RNA)
where:
Base-Base interactions energy: -176.478
where: short stacking energy: -74.077
Base-Backbone interact. energy: -0.072
local terms energy: -84.905843
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -14.504
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: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -256.575132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.575132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.575132 (E_RNA)
where:
Base-Base interactions energy: -160.417
where: short stacking energy: -69.288
Base-Backbone interact. energy: -0.139
local terms energy: -96.019539
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -122.305554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.305554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.305554 (E_RNA)
where:
Base-Base interactions energy: -51.809
where: short stacking energy: -26.906
Base-Backbone interact. energy: -1.032
local terms energy: -69.465429
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -15.216
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: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -109.181426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.181426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.181426 (E_RNA)
where:
Base-Base interactions energy: -47.278
where: short stacking energy: -36.071
Base-Backbone interact. energy: -0.111
local terms energy: -61.792287
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -7.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -95.074485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.074485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.074485 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -30.049
Base-Backbone interact. energy: -0.126
local terms energy: -64.792587
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -9.603
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: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -110.617892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.617892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.617892 (E_RNA)
where:
Base-Base interactions energy: -60.228
where: short stacking energy: -23.783
Base-Backbone interact. energy: -0.155
local terms energy: -50.234205
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -307.747500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.747500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.747500 (E_RNA)
where:
Base-Base interactions energy: -214.859
where: short stacking energy: -71.675
Base-Backbone interact. energy: -0.702
local terms energy: -92.186960
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -22.740
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: 204
Temperature: 0.950000
Total energy: -280.121001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.121001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.121001 (E_RNA)
where:
Base-Base interactions energy: -182.494
where: short stacking energy: -76.778
Base-Backbone interact. energy: 0.059
local terms energy: -97.685765
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -17.012
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: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -287.360038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.360038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.360038 (E_RNA)
where:
Base-Base interactions energy: -200.914
where: short stacking energy: -79.896
Base-Backbone interact. energy: -0.072
local terms energy: -86.373820
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -11.306
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: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -268.520501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.520501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.520501 (E_RNA)
where:
Base-Base interactions energy: -177.172
where: short stacking energy: -82.173
Base-Backbone interact. energy: -0.081
local terms energy: -91.266631
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -8.419
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: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -261.401246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.401246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.401246 (E_RNA)
where:
Base-Base interactions energy: -180.331
where: short stacking energy: -72.834
Base-Backbone interact. energy: -0.190
local terms energy: -80.880180
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -23.054
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: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -269.954219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.954219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.954219 (E_RNA)
where:
Base-Base interactions energy: -184.787
where: short stacking energy: -83.797
Base-Backbone interact. energy: -0.131
local terms energy: -85.036191
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -102.559582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.559582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.559582 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.372
local terms energy: -66.151740
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -13.311
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: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -123.758986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.758986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.758986 (E_RNA)
where:
Base-Base interactions energy: -60.982
where: short stacking energy: -38.868
Base-Backbone interact. energy: -0.515
local terms energy: -62.261332
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -91.152722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.152722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.152722 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -23.287
Base-Backbone interact. energy: -0.371
local terms energy: -50.568957
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -1.458
tors. eta vs tors. theta energy: 1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -106.009299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.009299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.009299 (E_RNA)
where:
Base-Base interactions energy: -46.039
where: short stacking energy: -46.039
Base-Backbone interact. energy: -0.018
local terms energy: -59.952809
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -4.405
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: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -313.086856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.086856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.086856 (E_RNA)
where:
Base-Base interactions energy: -219.713
where: short stacking energy: -79.062
Base-Backbone interact. energy: -0.470
local terms energy: -92.904123
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -24.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -293.068921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.068921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.068921 (E_RNA)
where:
Base-Base interactions energy: -197.301
where: short stacking energy: -83.230
Base-Backbone interact. energy: -0.745
local terms energy: -95.022467
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -14.317
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: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -284.106219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.106219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.106219 (E_RNA)
where:
Base-Base interactions energy: -194.013
where: short stacking energy: -85.879
Base-Backbone interact. energy: -0.023
local terms energy: -90.070127
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -279.243241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.243241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.243241 (E_RNA)
where:
Base-Base interactions energy: -188.242
where: short stacking energy: -81.005
Base-Backbone interact. energy: -0.399
local terms energy: -90.602943
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -267.372916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.372916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.372916 (E_RNA)
where:
Base-Base interactions energy: -189.178
where: short stacking energy: -76.444
Base-Backbone interact. energy: -0.201
local terms energy: -77.994464
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -268.485033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.485033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.485033 (E_RNA)
where:
Base-Base interactions energy: -174.896
where: short stacking energy: -76.113
Base-Backbone interact. energy: -0.016
local terms energy: -93.572623
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -126.761344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.761344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.761344 (E_RNA)
where:
Base-Base interactions energy: -51.212
where: short stacking energy: -50.290
Base-Backbone interact. energy: -0.010
local terms energy: -75.539140
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -90.616864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.616864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.616864 (E_RNA)
where:
Base-Base interactions energy: -31.812
where: short stacking energy: -26.936
Base-Backbone interact. energy: -0.411
local terms energy: -58.393690
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -4.234
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: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -87.276528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.276528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.276528 (E_RNA)
where:
Base-Base interactions energy: -35.129
where: short stacking energy: -34.830
Base-Backbone interact. energy: -0.186
local terms energy: -51.961749
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -94.215863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.215863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.215863 (E_RNA)
where:
Base-Base interactions energy: -33.170
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.112
local terms energy: -60.933164
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -290.463520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.463520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.463520 (E_RNA)
where:
Base-Base interactions energy: -198.289
where: short stacking energy: -88.110
Base-Backbone interact. energy: -0.076
local terms energy: -92.098882
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -23.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -317.355663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.355663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.355663 (E_RNA)
where:
Base-Base interactions energy: -227.388
where: short stacking energy: -80.974
Base-Backbone interact. energy: -0.074
local terms energy: -89.893619
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -280.414005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.414005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.414005 (E_RNA)
where:
Base-Base interactions energy: -191.989
where: short stacking energy: -83.520
Base-Backbone interact. energy: -1.071
local terms energy: -87.354084
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -26.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -288.620962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.620962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.620962 (E_RNA)
where:
Base-Base interactions energy: -202.340
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.046
local terms energy: -86.234534
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -22.140
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: 206
Temperature: 1.100000
Total energy: -240.511117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.511117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.511117 (E_RNA)
where:
Base-Base interactions energy: -152.085
where: short stacking energy: -64.763
Base-Backbone interact. energy: 0.029
local terms energy: -88.454731
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -269.998367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.998367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.998367 (E_RNA)
where:
Base-Base interactions energy: -183.572
where: short stacking energy: -77.382
Base-Backbone interact. energy: -0.318
local terms energy: -86.108197
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -108.088636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.088636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.088636 (E_RNA)
where:
Base-Base interactions energy: -64.506
where: short stacking energy: -37.153
Base-Backbone interact. energy: 1.898
local terms energy: -45.481426
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: 4.449
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -168.697046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.697046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.697046 (E_RNA)
where:
Base-Base interactions energy: -98.285
where: short stacking energy: -56.010
Base-Backbone interact. energy: -0.226
local terms energy: -70.186114
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -99.661450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.661450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.661450 (E_RNA)
where:
Base-Base interactions energy: -30.272
where: short stacking energy: -29.265
Base-Backbone interact. energy: -0.493
local terms energy: -68.895596
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -90.446769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.446769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.446769 (E_RNA)
where:
Base-Base interactions energy: -35.671
where: short stacking energy: -30.286
Base-Backbone interact. energy: 1.834
local terms energy: -56.609256
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -302.047254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.047254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.047254 (E_RNA)
where:
Base-Base interactions energy: -203.533
where: short stacking energy: -82.221
Base-Backbone interact. energy: -0.444
local terms energy: -98.070306
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -13.399
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: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -308.040871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.040871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.040871 (E_RNA)
where:
Base-Base interactions energy: -219.859
where: short stacking energy: -75.696
Base-Backbone interact. energy: 0.998
local terms energy: -89.179308
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -281.079354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.079354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.079354 (E_RNA)
where:
Base-Base interactions energy: -199.287
where: short stacking energy: -86.117
Base-Backbone interact. energy: -0.432
local terms energy: -81.360256
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -23.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -251.293997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.293997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.293997 (E_RNA)
where:
Base-Base interactions energy: -161.525
where: short stacking energy: -84.097
Base-Backbone interact. energy: -0.002
local terms energy: -89.767171
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -262.666136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.666136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.666136 (E_RNA)
where:
Base-Base interactions energy: -181.484
where: short stacking energy: -70.947
Base-Backbone interact. energy: -0.023
local terms energy: -81.159262
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -263.176631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.176631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.176631 (E_RNA)
where:
Base-Base interactions energy: -171.561
where: short stacking energy: -79.770
Base-Backbone interact. energy: -0.922
local terms energy: -90.693678
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -23.135
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: 207
Temperature: 1.200000
Total energy: -124.118351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.118351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.118351 (E_RNA)
where:
Base-Base interactions energy: -60.221
where: short stacking energy: -30.671
Base-Backbone interact. energy: -0.241
local terms energy: -63.655746
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -199.156421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.156421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.156421 (E_RNA)
where:
Base-Base interactions energy: -135.940
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.594
local terms energy: -62.622943
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -14.322
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: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -91.157575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.157575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.157575 (E_RNA)
where:
Base-Base interactions energy: -39.752
where: short stacking energy: -29.845
Base-Backbone interact. energy: 0.213
local terms energy: -51.619423
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -90.239736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.239736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.239736 (E_RNA)
where:
Base-Base interactions energy: -28.811
where: short stacking energy: -16.117
Base-Backbone interact. energy: -0.884
local terms energy: -60.545496
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: 1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -300.450567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.450567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.450567 (E_RNA)
where:
Base-Base interactions energy: -209.125
where: short stacking energy: -75.932
Base-Backbone interact. energy: -0.311
local terms energy: -91.013883
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -22.797
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: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -300.138004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.138004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.138004 (E_RNA)
where:
Base-Base interactions energy: -203.707
where: short stacking energy: -84.039
Base-Backbone interact. energy: -0.222
local terms energy: -96.209492
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -283.967839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.967839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.967839 (E_RNA)
where:
Base-Base interactions energy: -205.132
where: short stacking energy: -88.139
Base-Backbone interact. energy: -0.201
local terms energy: -78.634679
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -12.845
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: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -254.675658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.675658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.675658 (E_RNA)
where:
Base-Base interactions energy: -171.345
where: short stacking energy: -67.782
Base-Backbone interact. energy: 0.301
local terms energy: -83.632037
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -252.584189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.584189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.584189 (E_RNA)
where:
Base-Base interactions energy: -163.451
where: short stacking energy: -62.895
Base-Backbone interact. energy: -0.046
local terms energy: -89.086934
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -264.322828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.322828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.322828 (E_RNA)
where:
Base-Base interactions energy: -178.136
where: short stacking energy: -78.904
Base-Backbone interact. energy: -0.001
local terms energy: -86.185717
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -26.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -257.551574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.551574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.551574 (E_RNA)
where:
Base-Base interactions energy: -174.319
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.068
local terms energy: -83.163823
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -10.011
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: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -92.745432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.745432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.745432 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -32.091
Base-Backbone interact. energy: 0.396
local terms energy: -51.770314
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -97.470219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.470219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.470219 (E_RNA)
where:
Base-Base interactions energy: -32.923
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.103
local terms energy: -64.444388
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -90.849517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.849517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.849517 (E_RNA)
where:
Base-Base interactions energy: -27.969
where: short stacking energy: -27.969
Base-Backbone interact. energy: -0.315
local terms energy: -62.564820
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -312.315945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.315945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.315945 (E_RNA)
where:
Base-Base interactions energy: -221.384
where: short stacking energy: -78.751
Base-Backbone interact. energy: -0.670
local terms energy: -90.261361
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -22.283
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: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -296.201524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.201524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.201524 (E_RNA)
where:
Base-Base interactions energy: -196.860
where: short stacking energy: -85.152
Base-Backbone interact. energy: -0.036
local terms energy: -99.305578
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -276.110994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.110994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.110994 (E_RNA)
where:
Base-Base interactions energy: -191.846
where: short stacking energy: -75.385
Base-Backbone interact. energy: -0.181
local terms energy: -84.083626
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -258.025503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.025503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.025503 (E_RNA)
where:
Base-Base interactions energy: -181.855
where: short stacking energy: -75.158
Base-Backbone interact. energy: -0.156
local terms energy: -76.014309
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -261.362087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.362087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.362087 (E_RNA)
where:
Base-Base interactions energy: -179.177
where: short stacking energy: -73.753
Base-Backbone interact. energy: -0.123
local terms energy: -82.062384
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -23.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -267.283517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.283517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.283517 (E_RNA)
where:
Base-Base interactions energy: -187.738
where: short stacking energy: -68.534
Base-Backbone interact. energy: -0.100
local terms energy: -79.445712
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -19.869
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: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -231.885412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.885412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.885412 (E_RNA)
where:
Base-Base interactions energy: -146.874
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.064
local terms energy: -84.946721
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -17.801
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: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -98.670703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.670703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.670703 (E_RNA)
where:
Base-Base interactions energy: -32.828
where: short stacking energy: -20.435
Base-Backbone interact. energy: -0.089
local terms energy: -65.754082
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -95.331354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.331354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.331354 (E_RNA)
where:
Base-Base interactions energy: -34.060
where: short stacking energy: -29.504
Base-Backbone interact. energy: 0.024
local terms energy: -61.295550
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -95.618832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.618832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.618832 (E_RNA)
where:
Base-Base interactions energy: -54.415
where: short stacking energy: -27.037
Base-Backbone interact. energy: -0.244
local terms energy: -40.959605
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -5.898
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: 1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -302.244547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.244547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.244547 (E_RNA)
where:
Base-Base interactions energy: -213.373
where: short stacking energy: -80.514
Base-Backbone interact. energy: -0.381
local terms energy: -88.490399
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -302.966595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.966595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.966595 (E_RNA)
where:
Base-Base interactions energy: -207.818
where: short stacking energy: -91.116
Base-Backbone interact. energy: -0.062
local terms energy: -95.086256
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -25.903
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: 210
Temperature: 1.000000
Total energy: -285.725844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.725844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.725844 (E_RNA)
where:
Base-Base interactions energy: -191.256
where: short stacking energy: -85.171
Base-Backbone interact. energy: -0.005
local terms energy: -94.464459
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -14.845
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: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -277.749265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.749265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.749265 (E_RNA)
where:
Base-Base interactions energy: -188.682
where: short stacking energy: -76.429
Base-Backbone interact. energy: -0.971
local terms energy: -88.096261
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -12.008
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: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -262.360412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.360412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.360412 (E_RNA)
where:
Base-Base interactions energy: -177.960
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.352
local terms energy: -84.048435
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -10.455
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: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -262.166519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.166519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.166519 (E_RNA)
where:
Base-Base interactions energy: -179.700
where: short stacking energy: -76.704
Base-Backbone interact. energy: -0.060
local terms energy: -82.406594
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -24.048
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: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -235.972903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.972903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.972903 (E_RNA)
where:
Base-Base interactions energy: -160.698
where: short stacking energy: -60.406
Base-Backbone interact. energy: -0.160
local terms energy: -75.115622
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -132.899441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.899441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.899441 (E_RNA)
where:
Base-Base interactions energy: -71.894
where: short stacking energy: -34.684
Base-Backbone interact. energy: -0.194
local terms energy: -60.811464
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -8.741
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: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -83.018945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.018945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.018945 (E_RNA)
where:
Base-Base interactions energy: -25.322
where: short stacking energy: -24.961
Base-Backbone interact. energy: -0.037
local terms energy: -57.659938
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: 3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -93.589016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.589016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.589016 (E_RNA)
where:
Base-Base interactions energy: -33.682
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.085
local terms energy: -59.821494
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -4.961
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: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -309.239178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.239178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.239178 (E_RNA)
where:
Base-Base interactions energy: -220.595
where: short stacking energy: -81.345
Base-Backbone interact. energy: 4.081
local terms energy: -92.725490
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -293.765400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.765400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.765400 (E_RNA)
where:
Base-Base interactions energy: -203.930
where: short stacking energy: -81.976
Base-Backbone interact. energy: -0.038
local terms energy: -89.796997
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -13.537
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: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -276.237371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.237371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.237371 (E_RNA)
where:
Base-Base interactions energy: -187.643
where: short stacking energy: -84.247
Base-Backbone interact. energy: -0.006
local terms energy: -88.589193
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -271.071250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.071250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.071250 (E_RNA)
where:
Base-Base interactions energy: -185.317
where: short stacking energy: -77.496
Base-Backbone interact. energy: -0.583
local terms energy: -85.171223
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -11.019
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: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -259.444129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.444129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.444129 (E_RNA)
where:
Base-Base interactions energy: -175.819
where: short stacking energy: -77.198
Base-Backbone interact. energy: -0.097
local terms energy: -83.527799
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -24.435
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: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -225.570344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.570344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.570344 (E_RNA)
where:
Base-Base interactions energy: -137.829
where: short stacking energy: -65.621
Base-Backbone interact. energy: -0.110
local terms energy: -87.631479
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -22.401
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: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -238.172009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.172009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.172009 (E_RNA)
where:
Base-Base interactions energy: -154.475
where: short stacking energy: -66.465
Base-Backbone interact. energy: 0.022
local terms energy: -83.718946
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -105.514081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.514081 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -31.562
Base-Backbone interact. energy: -0.196
local terms energy: -72.841498
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -113.772705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.772705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.772705 (E_RNA)
where:
Base-Base interactions energy: -56.812
where: short stacking energy: -32.651
Base-Backbone interact. energy: -0.774
local terms energy: -56.186690
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -9.966
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -96.695912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.695912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.695912 (E_RNA)
where:
Base-Base interactions energy: -28.179
where: short stacking energy: -28.179
Base-Backbone interact. energy: -0.229
local terms energy: -68.287543
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -2.859
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: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -310.488604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.488604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.488604 (E_RNA)
where:
Base-Base interactions energy: -223.932
where: short stacking energy: -85.356
Base-Backbone interact. energy: 0.578
local terms energy: -87.134293
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -287.778728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.778728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.778728 (E_RNA)
where:
Base-Base interactions energy: -185.289
where: short stacking energy: -91.167
Base-Backbone interact. energy: -0.027
local terms energy: -102.462367
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -29.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -285.268548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.268548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.268548 (E_RNA)
where:
Base-Base interactions energy: -197.412
where: short stacking energy: -75.490
Base-Backbone interact. energy: 0.215
local terms energy: -88.071427
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -25.098
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: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -270.442737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.442737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.442737 (E_RNA)
where:
Base-Base interactions energy: -183.928
where: short stacking energy: -87.339
Base-Backbone interact. energy: -0.257
local terms energy: -86.257113
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -24.942
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: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -258.530664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.530664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.530664 (E_RNA)
where:
Base-Base interactions energy: -168.834
where: short stacking energy: -72.210
Base-Backbone interact. energy: -0.648
local terms energy: -89.048831
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -17.344
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -236.386229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.386229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.386229 (E_RNA)
where:
Base-Base interactions energy: -165.014
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.046
local terms energy: -71.325752
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -242.463320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.463320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.463320 (E_RNA)
where:
Base-Base interactions energy: -168.854
where: short stacking energy: -74.778
Base-Backbone interact. energy: -0.126
local terms energy: -73.482859
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -96.021456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.021456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.021456 (E_RNA)
where:
Base-Base interactions energy: -31.411
where: short stacking energy: -31.298
Base-Backbone interact. energy: -0.290
local terms energy: -64.320016
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -8.545
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: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -92.785650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.785650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.785650 (E_RNA)
where:
Base-Base interactions energy: -34.037
where: short stacking energy: -24.723
Base-Backbone interact. energy: -0.939
local terms energy: -57.809104
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -95.104919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.104919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.104919 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -21.450
Base-Backbone interact. energy: 0.614
local terms energy: -63.986731
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -5.735
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -315.171476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.171476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.171476 (E_RNA)
where:
Base-Base interactions energy: -221.589
where: short stacking energy: -83.583
Base-Backbone interact. energy: 0.610
local terms energy: -94.192608
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -15.884
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: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -285.102209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.102209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.102209 (E_RNA)
where:
Base-Base interactions energy: -197.060
where: short stacking energy: -73.228
Base-Backbone interact. energy: -0.187
local terms energy: -87.855134
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -10.983
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: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -290.060140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.060140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.060140 (E_RNA)
where:
Base-Base interactions energy: -196.220
where: short stacking energy: -99.584
Base-Backbone interact. energy: -0.272
local terms energy: -93.567793
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -26.842
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: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -274.193439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.193439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.193439 (E_RNA)
where:
Base-Base interactions energy: -184.714
where: short stacking energy: -88.179
Base-Backbone interact. energy: -0.064
local terms energy: -89.415239
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -244.691112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.691112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.691112 (E_RNA)
where:
Base-Base interactions energy: -164.046
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.112
local terms energy: -80.532994
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -19.329
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: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -247.525513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.525513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.525513 (E_RNA)
where:
Base-Base interactions energy: -163.761
where: short stacking energy: -81.184
Base-Backbone interact. energy: -0.051
local terms energy: -83.712661
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -241.846198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.846198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.846198 (E_RNA)
where:
Base-Base interactions energy: -161.730
where: short stacking energy: -72.260
Base-Backbone interact. energy: -0.034
local terms energy: -80.082663
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -104.002450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.002450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.002450 (E_RNA)
where:
Base-Base interactions energy: -47.015
where: short stacking energy: -33.875
Base-Backbone interact. energy: -0.132
local terms energy: -56.855662
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -3.664
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -94.921527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.921527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.921527 (E_RNA)
where:
Base-Base interactions energy: -39.680
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.070
local terms energy: -55.172266
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -90.210555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.210555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.210555 (E_RNA)
where:
Base-Base interactions energy: -30.219
where: short stacking energy: -30.219
Base-Backbone interact. energy: -0.062
local terms energy: -59.929733
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -6.404
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: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -320.362470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.362470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.362470 (E_RNA)
where:
Base-Base interactions energy: -232.479
where: short stacking energy: -85.066
Base-Backbone interact. energy: 0.470
local terms energy: -88.352851
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -9.980
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: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -293.008586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.008586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.008586 (E_RNA)
where:
Base-Base interactions energy: -206.263
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.305
local terms energy: -86.440519
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -8.961
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: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -279.717003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.717003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.717003 (E_RNA)
where:
Base-Base interactions energy: -188.505
where: short stacking energy: -82.978
Base-Backbone interact. energy: -0.114
local terms energy: -91.097927
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -24.724
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: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -281.388380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.388380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.388380 (E_RNA)
where:
Base-Base interactions energy: -205.215
where: short stacking energy: -77.813
Base-Backbone interact. energy: -0.058
local terms energy: -76.115206
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -257.405562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.405562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.405562 (E_RNA)
where:
Base-Base interactions energy: -177.427
where: short stacking energy: -75.033
Base-Backbone interact. energy: -0.443
local terms energy: -79.535458
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -235.019466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.019466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.019466 (E_RNA)
where:
Base-Base interactions energy: -168.537
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.150
local terms energy: -66.332051
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.191
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: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -232.052445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.052445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.052445 (E_RNA)
where:
Base-Base interactions energy: -157.233
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.119
local terms energy: -74.699896
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -19.337
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: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -100.779973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.779973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.779973 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.699
local terms energy: -60.629510
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -94.576742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.576742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.576742 (E_RNA)
where:
Base-Base interactions energy: -43.046
where: short stacking energy: -31.962
Base-Backbone interact. energy: 0.197
local terms energy: -51.726831
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -1.804
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: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -89.364546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.364546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.364546 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -29.183
Base-Backbone interact. energy: -0.129
local terms energy: -60.052648
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -324.426050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.426050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.426050 (E_RNA)
where:
Base-Base interactions energy: -236.826
where: short stacking energy: -86.186
Base-Backbone interact. energy: 1.289
local terms energy: -88.888709
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -21.617
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: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -284.188027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.188027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.188027 (E_RNA)
where:
Base-Base interactions energy: -197.636
where: short stacking energy: -71.790
Base-Backbone interact. energy: -0.036
local terms energy: -86.515989
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -15.593
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: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -272.093030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.093030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.093030 (E_RNA)
where:
Base-Base interactions energy: -189.782
where: short stacking energy: -84.500
Base-Backbone interact. energy: -0.057
local terms energy: -82.253811
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -27.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -268.662600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.662600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.662600 (E_RNA)
where:
Base-Base interactions energy: -185.581
where: short stacking energy: -73.480
Base-Backbone interact. energy: -1.599
local terms energy: -81.482556
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -262.579864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.579864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.579864 (E_RNA)
where:
Base-Base interactions energy: -172.994
where: short stacking energy: -73.838
Base-Backbone interact. energy: -0.548
local terms energy: -89.037785
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -262.068897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.068897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.068897 (E_RNA)
where:
Base-Base interactions energy: -178.924
where: short stacking energy: -75.088
Base-Backbone interact. energy: -0.373
local terms energy: -82.772660
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -221.273868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.273868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.273868 (E_RNA)
where:
Base-Base interactions energy: -142.333
where: short stacking energy: -62.559
Base-Backbone interact. energy: -0.047
local terms energy: -78.893590
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -90.709461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.709461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.709461 (E_RNA)
where:
Base-Base interactions energy: -41.836
where: short stacking energy: -28.807
Base-Backbone interact. energy: -1.181
local terms energy: -47.692262
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: 1.907
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: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -95.160684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.160684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.160684 (E_RNA)
where:
Base-Base interactions energy: -29.242
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.350
local terms energy: -65.568676
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -0.648
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: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -84.164189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164189 (E_RNA)
where:
Base-Base interactions energy: -31.089
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.445
local terms energy: -52.630494
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -9.187
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -320.938686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.938686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.938686 (E_RNA)
where:
Base-Base interactions energy: -230.718
where: short stacking energy: -82.689
Base-Backbone interact. energy: -0.152
local terms energy: -90.068209
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -21.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -282.447912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.447912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.447912 (E_RNA)
where:
Base-Base interactions energy: -198.350
where: short stacking energy: -76.364
Base-Backbone interact. energy: -0.114
local terms energy: -83.984627
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -5.294
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: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -275.172988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.172988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.172988 (E_RNA)
where:
Base-Base interactions energy: -185.671
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.153
local terms energy: -89.348487
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -265.403368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.403368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.403368 (E_RNA)
where:
Base-Base interactions energy: -175.173
where: short stacking energy: -77.509
Base-Backbone interact. energy: -0.045
local terms energy: -90.185774
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -22.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -269.757444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.757444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.757444 (E_RNA)
where:
Base-Base interactions energy: -191.773
where: short stacking energy: -79.068
Base-Backbone interact. energy: -0.421
local terms energy: -77.564085
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -264.994530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.994530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.994530 (E_RNA)
where:
Base-Base interactions energy: -180.923
where: short stacking energy: -75.837
Base-Backbone interact. energy: -0.230
local terms energy: -83.841310
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -23.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -263.632466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.632466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.632466 (E_RNA)
where:
Base-Base interactions energy: -172.285
where: short stacking energy: -81.343
Base-Backbone interact. energy: -0.023
local terms energy: -91.324423
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -11.449
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: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -105.238684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.238684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.238684 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.823
local terms energy: -67.971892
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -1.492
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: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -99.601912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.601912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.601912 (E_RNA)
where:
Base-Base interactions energy: -32.285
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.036
local terms energy: -67.281493
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: 0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -95.057674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.057674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.057674 (E_RNA)
where:
Base-Base interactions energy: -33.845
where: short stacking energy: -28.908
Base-Backbone interact. energy: -0.127
local terms energy: -61.085522
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -320.903628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.903628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.903628 (E_RNA)
where:
Base-Base interactions energy: -234.225
where: short stacking energy: -88.951
Base-Backbone interact. energy: 0.629
local terms energy: -87.307529
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -22.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -284.866176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.866176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.866176 (E_RNA)
where:
Base-Base interactions energy: -202.303
where: short stacking energy: -78.219
Base-Backbone interact. energy: 1.188
local terms energy: -83.751679
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -273.510813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.510813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.510813 (E_RNA)
where:
Base-Base interactions energy: -186.599
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.192
local terms energy: -86.720204
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -271.025138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.025138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.025138 (E_RNA)
where:
Base-Base interactions energy: -189.088
where: short stacking energy: -82.658
Base-Backbone interact. energy: 0.424
local terms energy: -82.361272
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -22.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -250.163085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.163085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.163085 (E_RNA)
where:
Base-Base interactions energy: -172.375
where: short stacking energy: -62.723
Base-Backbone interact. energy: -0.147
local terms energy: -77.641205
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -262.856182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.856182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.856182 (E_RNA)
where:
Base-Base interactions energy: -176.754
where: short stacking energy: -76.874
Base-Backbone interact. energy: -0.059
local terms energy: -86.043573
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -23.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -232.523657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.523657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.523657 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -63.764
Base-Backbone interact. energy: -0.555
local terms energy: -85.568328
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -93.143818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.143818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.143818 (E_RNA)
where:
Base-Base interactions energy: -35.226
where: short stacking energy: -29.573
Base-Backbone interact. energy: -0.785
local terms energy: -57.132838
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -102.357431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.357431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.357431 (E_RNA)
where:
Base-Base interactions energy: -44.619
where: short stacking energy: -38.940
Base-Backbone interact. energy: -0.079
local terms energy: -57.659898
where:
bonds (distance) C4'-P energy: -7.151
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -113.994579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.994579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.994579 (E_RNA)
where:
Base-Base interactions energy: -53.077
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.308
local terms energy: -60.609232
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -321.820461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.820461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.820461 (E_RNA)
where:
Base-Base interactions energy: -232.653
where: short stacking energy: -78.915
Base-Backbone interact. energy: 0.945
local terms energy: -90.112538
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -21.826
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: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -289.688390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.688390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.688390 (E_RNA)
where:
Base-Base interactions energy: -195.722
where: short stacking energy: -77.903
Base-Backbone interact. energy: -0.097
local terms energy: -93.869483
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -283.086655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.086655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.086655 (E_RNA)
where:
Base-Base interactions energy: -193.378
where: short stacking energy: -83.710
Base-Backbone interact. energy: 0.005
local terms energy: -89.713565
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -257.287476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.287476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.287476 (E_RNA)
where:
Base-Base interactions energy: -177.575
where: short stacking energy: -65.092
Base-Backbone interact. energy: -0.347
local terms energy: -79.366215
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -279.188950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.188950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.188950 (E_RNA)
where:
Base-Base interactions energy: -196.483
where: short stacking energy: -84.051
Base-Backbone interact. energy: -0.472
local terms energy: -82.234561
where:
bonds (distance) C4'-P energy: -6.635
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -23.248
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: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -247.722436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.722436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.722436 (E_RNA)
where:
Base-Base interactions energy: -158.385
where: short stacking energy: -69.687
Base-Backbone interact. energy: -0.103
local terms energy: -89.234064
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -226.881963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.881963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.881963 (E_RNA)
where:
Base-Base interactions energy: -158.916
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.111
local terms energy: -67.855217
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -106.047923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.047923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.047923 (E_RNA)
where:
Base-Base interactions energy: -49.940
where: short stacking energy: -45.888
Base-Backbone interact. energy: -0.131
local terms energy: -55.976923
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -9.819
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -10.267
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: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -103.801649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.801649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.801649 (E_RNA)
where:
Base-Base interactions energy: -42.850
where: short stacking energy: -41.499
Base-Backbone interact. energy: 0.496
local terms energy: -61.447956
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -85.631015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.631015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.631015 (E_RNA)
where:
Base-Base interactions energy: -38.892
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.105
local terms energy: -46.633712
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -319.403520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.403520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.403520 (E_RNA)
where:
Base-Base interactions energy: -231.214
where: short stacking energy: -84.078
Base-Backbone interact. energy: 2.069
local terms energy: -90.258243
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -283.305869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.305869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.305869 (E_RNA)
where:
Base-Base interactions energy: -191.654
where: short stacking energy: -59.765
Base-Backbone interact. energy: -1.629
local terms energy: -90.022979
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -285.767696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.767696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.767696 (E_RNA)
where:
Base-Base interactions energy: -196.769
where: short stacking energy: -82.320
Base-Backbone interact. energy: -0.087
local terms energy: -88.910950
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -25.538
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: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -268.611305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.611305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.611305 (E_RNA)
where:
Base-Base interactions energy: -179.058
where: short stacking energy: -76.309
Base-Backbone interact. energy: -1.846
local terms energy: -87.707202
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -249.299492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.299492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.299492 (E_RNA)
where:
Base-Base interactions energy: -162.256
where: short stacking energy: -74.752
Base-Backbone interact. energy: -0.325
local terms energy: -86.718420
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -245.029725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.029725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.029725 (E_RNA)
where:
Base-Base interactions energy: -161.831
where: short stacking energy: -70.395
Base-Backbone interact. energy: -0.006
local terms energy: -83.193287
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -244.932278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.932278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.932278 (E_RNA)
where:
Base-Base interactions energy: -165.181
where: short stacking energy: -76.136
Base-Backbone interact. energy: -0.063
local terms energy: -79.687421
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -17.186
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: 219
Temperature: 1.250000
Total energy: -98.270499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.270499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.270499 (E_RNA)
where:
Base-Base interactions energy: -45.753
where: short stacking energy: -31.528
Base-Backbone interact. energy: -0.115
local terms energy: -52.402518
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -13.149
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: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -86.299073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.299073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.299073 (E_RNA)
where:
Base-Base interactions energy: -30.295
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.095
local terms energy: -55.909056
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: 3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -93.703070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.703070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.703070 (E_RNA)
where:
Base-Base interactions energy: -42.218
where: short stacking energy: -42.218
Base-Backbone interact. energy: -0.413
local terms energy: -51.072715
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -328.720383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.720383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.720383 (E_RNA)
where:
Base-Base interactions energy: -237.768
where: short stacking energy: -88.423
Base-Backbone interact. energy: 2.316
local terms energy: -93.268457
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -286.070836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.070836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.070836 (E_RNA)
where:
Base-Base interactions energy: -195.902
where: short stacking energy: -75.983
Base-Backbone interact. energy: 0.933
local terms energy: -91.101369
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -285.069855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.069855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.069855 (E_RNA)
where:
Base-Base interactions energy: -194.783
where: short stacking energy: -82.447
Base-Backbone interact. energy: -0.137
local terms energy: -90.149692
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -22.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -246.819825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.819825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.819825 (E_RNA)
where:
Base-Base interactions energy: -165.899
where: short stacking energy: -77.481
Base-Backbone interact. energy: -0.133
local terms energy: -80.788400
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -237.037585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.037585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.037585 (E_RNA)
where:
Base-Base interactions energy: -154.316
where: short stacking energy: -68.276
Base-Backbone interact. energy: -0.081
local terms energy: -82.640074
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -18.153
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: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -246.711155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.711155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.711155 (E_RNA)
where:
Base-Base interactions energy: -162.374
where: short stacking energy: -74.365
Base-Backbone interact. energy: -0.012
local terms energy: -84.325523
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -10.990
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: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -228.268483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.268483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.268483 (E_RNA)
where:
Base-Base interactions energy: -147.845
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.011
local terms energy: -80.412451
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -97.070774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.070774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.070774 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.106
local terms energy: -63.265266
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -98.597434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.597434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.597434 (E_RNA)
where:
Base-Base interactions energy: -40.510
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.015
local terms energy: -58.073144
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: 1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -84.036059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.036059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.036059 (E_RNA)
where:
Base-Base interactions energy: -31.459
where: short stacking energy: -24.458
Base-Backbone interact. energy: -0.235
local terms energy: -52.341811
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: 1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -326.764468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.764468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.764468 (E_RNA)
where:
Base-Base interactions energy: -235.989
where: short stacking energy: -82.388
Base-Backbone interact. energy: -0.110
local terms energy: -90.665156
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -23.717
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: 221
Temperature: 0.950000
Total energy: -288.389893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.389893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.389893 (E_RNA)
where:
Base-Base interactions energy: -193.237
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.081
local terms energy: -95.072374
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -277.171365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.171365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.171365 (E_RNA)
where:
Base-Base interactions energy: -186.891
where: short stacking energy: -79.891
Base-Backbone interact. energy: -0.457
local terms energy: -89.823443
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -22.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -243.431817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.431817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.431817 (E_RNA)
where:
Base-Base interactions energy: -155.546
where: short stacking energy: -64.180
Base-Backbone interact. energy: -1.104
local terms energy: -86.782056
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -245.879606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.879606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.879606 (E_RNA)
where:
Base-Base interactions energy: -160.444
where: short stacking energy: -74.831
Base-Backbone interact. energy: -0.070
local terms energy: -85.365094
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -231.835920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.835920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.835920 (E_RNA)
where:
Base-Base interactions energy: -149.133
where: short stacking energy: -73.047
Base-Backbone interact. energy: -0.170
local terms energy: -82.533063
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -234.195178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.195178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.195178 (E_RNA)
where:
Base-Base interactions energy: -157.400
where: short stacking energy: -67.304
Base-Backbone interact. energy: -0.135
local terms energy: -76.660331
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -24.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -92.537018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.537018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.537018 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -33.405
Base-Backbone interact. energy: -0.452
local terms energy: -54.661548
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -89.678723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.678723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.678723 (E_RNA)
where:
Base-Base interactions energy: -47.492
where: short stacking energy: -25.951
Base-Backbone interact. energy: -0.927
local terms energy: -41.259548
where:
bonds (distance) C4'-P energy: -7.370
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: 6.018
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: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -89.742775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.742775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.742775 (E_RNA)
where:
Base-Base interactions energy: -31.827
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.191
local terms energy: -57.725166
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -324.239591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.239591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.239591 (E_RNA)
where:
Base-Base interactions energy: -235.389
where: short stacking energy: -83.194
Base-Backbone interact. energy: 0.977
local terms energy: -89.828371
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -23.797
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: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -287.104930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.104930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.104930 (E_RNA)
where:
Base-Base interactions energy: -191.678
where: short stacking energy: -71.481
Base-Backbone interact. energy: -0.518
local terms energy: -94.909308
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -18.171
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: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -280.394541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.394541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.394541 (E_RNA)
where:
Base-Base interactions energy: -186.428
where: short stacking energy: -81.719
Base-Backbone interact. energy: -0.012
local terms energy: -93.953990
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -22.832
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: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -245.302071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.302071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.302071 (E_RNA)
where:
Base-Base interactions energy: -158.636
where: short stacking energy: -68.367
Base-Backbone interact. energy: -0.157
local terms energy: -86.508643
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -17.780
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: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -234.356733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.356733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.356733 (E_RNA)
where:
Base-Base interactions energy: -150.987
where: short stacking energy: -62.510
Base-Backbone interact. energy: -0.101
local terms energy: -83.268813
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -12.234
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: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -232.661483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.661483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.661483 (E_RNA)
where:
Base-Base interactions energy: -151.764
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.014
local terms energy: -80.883525
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -258.405988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.405988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.405988 (E_RNA)
where:
Base-Base interactions energy: -178.793
where: short stacking energy: -81.774
Base-Backbone interact. energy: -0.078
local terms energy: -79.534829
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -12.555
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: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -97.395325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.395325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.395325 (E_RNA)
where:
Base-Base interactions energy: -36.819
where: short stacking energy: -34.348
Base-Backbone interact. energy: -0.002
local terms energy: -60.574748
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -5.185
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: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -89.909896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.909896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.909896 (E_RNA)
where:
Base-Base interactions energy: -37.000
where: short stacking energy: -26.771
Base-Backbone interact. energy: -2.095
local terms energy: -50.815630
where:
bonds (distance) C4'-P energy: -7.440
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: 2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -99.685785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.685785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.685785 (E_RNA)
where:
Base-Base interactions energy: -52.166
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.554
local terms energy: -46.965797
where:
bonds (distance) C4'-P energy: -6.185
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -319.058251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.058251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.058251 (E_RNA)
where:
Base-Base interactions energy: -229.773
where: short stacking energy: -84.422
Base-Backbone interact. energy: 1.415
local terms energy: -90.699887
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.279
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: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -297.923941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.923941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.923941 (E_RNA)
where:
Base-Base interactions energy: -205.122
where: short stacking energy: -85.684
Base-Backbone interact. energy: -0.097
local terms energy: -92.704762
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -278.308006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.308006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.308006 (E_RNA)
where:
Base-Base interactions energy: -191.650
where: short stacking energy: -76.864
Base-Backbone interact. energy: -0.022
local terms energy: -86.635409
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -26.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -251.448559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.448559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.448559 (E_RNA)
where:
Base-Base interactions energy: -166.488
where: short stacking energy: -67.101
Base-Backbone interact. energy: 0.445
local terms energy: -85.404791
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -243.431913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.431913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.431913 (E_RNA)
where:
Base-Base interactions energy: -169.527
where: short stacking energy: -67.001
Base-Backbone interact. energy: 0.191
local terms energy: -74.095987
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -249.665424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.665424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.665424 (E_RNA)
where:
Base-Base interactions energy: -169.285
where: short stacking energy: -70.483
Base-Backbone interact. energy: -0.853
local terms energy: -79.527167
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -21.103
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: 223
Temperature: 1.200000
Total energy: -230.530154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.530154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.530154 (E_RNA)
where:
Base-Base interactions energy: -154.602
where: short stacking energy: -68.606
Base-Backbone interact. energy: 0.137
local terms energy: -76.065640
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -16.699
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: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -100.458110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.458110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.458110 (E_RNA)
where:
Base-Base interactions energy: -41.888
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.139
local terms energy: -58.431460
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -3.386
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: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -101.987378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.987378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.987378 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -31.756
Base-Backbone interact. energy: -0.479
local terms energy: -66.380183
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -11.405
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: 10, replica: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -86.692963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.692963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.692963 (E_RNA)
where:
Base-Base interactions energy: -30.990
where: short stacking energy: -27.774
Base-Backbone interact. energy: -0.034
local terms energy: -55.668738
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -3.930
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: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -318.688502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.688502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.688502 (E_RNA)
where:
Base-Base interactions energy: -230.434
where: short stacking energy: -81.904
Base-Backbone interact. energy: 1.249
local terms energy: -89.503461
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -299.663319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.663319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.663319 (E_RNA)
where:
Base-Base interactions energy: -211.224
where: short stacking energy: -88.311
Base-Backbone interact. energy: -0.082
local terms energy: -88.357053
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -24.838
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: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -271.737066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.737066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.737066 (E_RNA)
where:
Base-Base interactions energy: -185.559
where: short stacking energy: -74.558
Base-Backbone interact. energy: -0.080
local terms energy: -86.097991
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -11.690
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: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -277.531012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.531012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.531012 (E_RNA)
where:
Base-Base interactions energy: -196.600
where: short stacking energy: -71.629
Base-Backbone interact. energy: -0.096
local terms energy: -80.835047
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -20.441
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: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -264.151752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.151752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.151752 (E_RNA)
where:
Base-Base interactions energy: -177.012
where: short stacking energy: -84.660
Base-Backbone interact. energy: -0.121
local terms energy: -87.018752
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -24.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -262.708285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.708285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.708285 (E_RNA)
where:
Base-Base interactions energy: -172.895
where: short stacking energy: -73.816
Base-Backbone interact. energy: -0.048
local terms energy: -89.765895
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -105.888860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.888860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.888860 (E_RNA)
where:
Base-Base interactions energy: -38.069
where: short stacking energy: -38.069
Base-Backbone interact. energy: -0.477
local terms energy: -67.342774
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -3.120
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: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -234.929170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.929170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.929170 (E_RNA)
where:
Base-Base interactions energy: -159.795
where: short stacking energy: -68.681
Base-Backbone interact. energy: -0.007
local terms energy: -75.126807
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -100.821384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.821384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.821384 (E_RNA)
where:
Base-Base interactions energy: -35.272
where: short stacking energy: -34.502
Base-Backbone interact. energy: -0.098
local terms energy: -65.451945
where:
bonds (distance) C4'-P energy: -8.061
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -119.030373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.030373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.030373 (E_RNA)
where:
Base-Base interactions energy: -55.986
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.063
local terms energy: -62.981951
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -315.796336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.796336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.796336 (E_RNA)
where:
Base-Base interactions energy: -224.423
where: short stacking energy: -86.043
Base-Backbone interact. energy: -0.049
local terms energy: -91.324297
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -22.968
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: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -273.533791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.533791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.533791 (E_RNA)
where:
Base-Base interactions energy: -181.575
where: short stacking energy: -68.728
Base-Backbone interact. energy: -0.060
local terms energy: -91.898871
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -264.098365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.098365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.098365 (E_RNA)
where:
Base-Base interactions energy: -182.038
where: short stacking energy: -75.464
Base-Backbone interact. energy: -0.374
local terms energy: -81.685750
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -284.514341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.514341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.514341 (E_RNA)
where:
Base-Base interactions energy: -186.135
where: short stacking energy: -90.890
Base-Backbone interact. energy: -0.016
local terms energy: -98.363731
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -27.741
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: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -274.301553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.301553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.301553 (E_RNA)
where:
Base-Base interactions energy: -187.550
where: short stacking energy: -74.441
Base-Backbone interact. energy: -2.024
local terms energy: -84.728488
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -12.056
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: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -262.250927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.250927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.250927 (E_RNA)
where:
Base-Base interactions energy: -177.160
where: short stacking energy: -71.175
Base-Backbone interact. energy: -0.001
local terms energy: -85.090130
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -113.216860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.216860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.216860 (E_RNA)
where:
Base-Base interactions energy: -45.881
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.249
local terms energy: -67.086832
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -229.640519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.640519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.640519 (E_RNA)
where:
Base-Base interactions energy: -154.790
where: short stacking energy: -68.890
Base-Backbone interact. energy: 0.927
local terms energy: -75.777172
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -19.446
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: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -115.109913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.109913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.109913 (E_RNA)
where:
Base-Base interactions energy: -63.465
where: short stacking energy: -31.895
Base-Backbone interact. energy: 0.591
local terms energy: -52.235543
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: 1.690
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -98.387797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.387797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.387797 (E_RNA)
where:
Base-Base interactions energy: -30.817
where: short stacking energy: -30.817
Base-Backbone interact. energy: -0.068
local terms energy: -67.503098
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -314.917334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.917334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.917334 (E_RNA)
where:
Base-Base interactions energy: -220.253
where: short stacking energy: -83.445
Base-Backbone interact. energy: 0.506
local terms energy: -95.170208
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -15.214
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: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -284.906147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.906147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.906147 (E_RNA)
where:
Base-Base interactions energy: -191.053
where: short stacking energy: -81.600
Base-Backbone interact. energy: -0.318
local terms energy: -93.534914
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -23.215
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: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -285.706846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.706846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.706846 (E_RNA)
where:
Base-Base interactions energy: -190.605
where: short stacking energy: -83.314
Base-Backbone interact. energy: -0.209
local terms energy: -94.893551
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -262.562139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.562139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.562139 (E_RNA)
where:
Base-Base interactions energy: -170.255
where: short stacking energy: -73.174
Base-Backbone interact. energy: -0.400
local terms energy: -91.907355
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -23.360
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: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -268.787913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.787913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.787913 (E_RNA)
where:
Base-Base interactions energy: -182.652
where: short stacking energy: -68.523
Base-Backbone interact. energy: -1.102
local terms energy: -85.033940
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -20.377
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: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -258.557909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.557909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.557909 (E_RNA)
where:
Base-Base interactions energy: -173.614
where: short stacking energy: -78.903
Base-Backbone interact. energy: -0.004
local terms energy: -84.940001
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -25.158
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: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -152.911474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.911474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.911474 (E_RNA)
where:
Base-Base interactions energy: -80.916
where: short stacking energy: -51.927
Base-Backbone interact. energy: -0.338
local terms energy: -71.658006
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -110.185875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.185875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.185875 (E_RNA)
where:
Base-Base interactions energy: -59.696
where: short stacking energy: -32.246
Base-Backbone interact. energy: -0.098
local terms energy: -50.391625
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: 0.183
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: 226
Temperature: 1.300000
Total energy: -99.586341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.586341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.586341 (E_RNA)
where:
Base-Base interactions energy: -38.001
where: short stacking energy: -38.001
Base-Backbone interact. energy: -0.045
local terms energy: -61.540726
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -86.915587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915587 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -26.753
Base-Backbone interact. energy: -0.149
local terms energy: -50.049312
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -310.129889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.129889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.129889 (E_RNA)
where:
Base-Base interactions energy: -228.846
where: short stacking energy: -83.094
Base-Backbone interact. energy: 1.203
local terms energy: -82.487269
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.255
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: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -288.485560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.485560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.485560 (E_RNA)
where:
Base-Base interactions energy: -192.145
where: short stacking energy: -95.070
Base-Backbone interact. energy: -0.004
local terms energy: -96.336627
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -15.240
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: 3, replica: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -274.545547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.545547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.545547 (E_RNA)
where:
Base-Base interactions energy: -184.476
where: short stacking energy: -78.416
Base-Backbone interact. energy: -0.088
local terms energy: -89.981721
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -270.587749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.587749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.587749 (E_RNA)
where:
Base-Base interactions energy: -185.974
where: short stacking energy: -72.214
Base-Backbone interact. energy: -0.198
local terms energy: -84.416269
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -268.367899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.367899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.367899 (E_RNA)
where:
Base-Base interactions energy: -176.545
where: short stacking energy: -78.211
Base-Backbone interact. energy: -0.035
local terms energy: -91.787690
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -15.732
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: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -259.518254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.518254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.518254 (E_RNA)
where:
Base-Base interactions energy: -176.171
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.359
local terms energy: -82.988320
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -9.048
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: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -193.265965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.265965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.265965 (E_RNA)
where:
Base-Base interactions energy: -119.633
where: short stacking energy: -56.171
Base-Backbone interact. energy: -0.399
local terms energy: -73.233361
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -93.440553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.440553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.440553 (E_RNA)
where:
Base-Base interactions energy: -35.268
where: short stacking energy: -26.841
Base-Backbone interact. energy: 3.003
local terms energy: -61.175183
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -132.777097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.777097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.777097 (E_RNA)
where:
Base-Base interactions energy: -66.300
where: short stacking energy: -39.736
Base-Backbone interact. energy: -0.259
local terms energy: -66.218510
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -10.876
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: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -100.191369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.191369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.191369 (E_RNA)
where:
Base-Base interactions energy: -45.674
where: short stacking energy: -21.921
Base-Backbone interact. energy: -0.348
local terms energy: -54.169866
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -3.192
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: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -319.016777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.016777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.016777 (E_RNA)
where:
Base-Base interactions energy: -224.176
where: short stacking energy: -84.253
Base-Backbone interact. energy: 2.454
local terms energy: -97.294809
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -23.778
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: 228
Temperature: 0.950000
Total energy: -289.515042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.515042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.515042 (E_RNA)
where:
Base-Base interactions energy: -192.796
where: short stacking energy: -80.718
Base-Backbone interact. energy: -0.097
local terms energy: -96.622411
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -24.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -281.515683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.515683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.515683 (E_RNA)
where:
Base-Base interactions energy: -180.211
where: short stacking energy: -81.446
Base-Backbone interact. energy: -0.292
local terms energy: -101.013480
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -28.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -277.447766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.447766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.447766 (E_RNA)
where:
Base-Base interactions energy: -191.776
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.299
local terms energy: -85.373593
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -20.559
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: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -273.144111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.144111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.144111 (E_RNA)
where:
Base-Base interactions energy: -183.461
where: short stacking energy: -79.376
Base-Backbone interact. energy: -0.732
local terms energy: -88.951002
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -13.008
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: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -246.922285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.922285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.922285 (E_RNA)
where:
Base-Base interactions energy: -164.394
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.632
local terms energy: -81.896392
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -15.243
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: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -190.434678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.434678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.434678 (E_RNA)
where:
Base-Base interactions energy: -115.517
where: short stacking energy: -53.329
Base-Backbone interact. energy: -0.023
local terms energy: -74.894822
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -111.142825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.142825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.142825 (E_RNA)
where:
Base-Base interactions energy: -52.744
where: short stacking energy: -35.169
Base-Backbone interact. energy: 0.583
local terms energy: -58.981665
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -91.827736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.827736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.827736 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -24.379
Base-Backbone interact. energy: -0.037
local terms energy: -63.002174
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: 0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -88.017322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.017322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.017322 (E_RNA)
where:
Base-Base interactions energy: -37.467
where: short stacking energy: -26.033
Base-Backbone interact. energy: -0.604
local terms energy: -49.946526
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -9.800
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: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -313.727043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.727043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.727043 (E_RNA)
where:
Base-Base interactions energy: -226.418
where: short stacking energy: -85.498
Base-Backbone interact. energy: -0.154
local terms energy: -87.155050
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -23.804
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: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -294.751868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.751868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.751868 (E_RNA)
where:
Base-Base interactions energy: -204.532
where: short stacking energy: -85.763
Base-Backbone interact. energy: -0.140
local terms energy: -90.079226
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -279.838931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.838931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.838931 (E_RNA)
where:
Base-Base interactions energy: -189.937
where: short stacking energy: -82.676
Base-Backbone interact. energy: -0.424
local terms energy: -89.478409
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -24.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -281.806118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.806118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.806118 (E_RNA)
where:
Base-Base interactions energy: -193.674
where: short stacking energy: -75.583
Base-Backbone interact. energy: -0.044
local terms energy: -88.088558
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -10.685
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: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -274.712708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.712708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.712708 (E_RNA)
where:
Base-Base interactions energy: -194.217
where: short stacking energy: -77.551
Base-Backbone interact. energy: 0.309
local terms energy: -80.804718
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -23.964
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: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -264.792117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.792117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.792117 (E_RNA)
where:
Base-Base interactions energy: -182.295
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.365
local terms energy: -82.132474
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -8.575
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: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -178.722321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.722321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.722321 (E_RNA)
where:
Base-Base interactions energy: -119.422
where: short stacking energy: -65.800
Base-Backbone interact. energy: 0.311
local terms energy: -59.610942
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -93.202292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.202292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.202292 (E_RNA)
where:
Base-Base interactions energy: -34.622
where: short stacking energy: -34.622
Base-Backbone interact. energy: 0.017
local terms energy: -58.597250
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -91.889670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.889670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.889670 (E_RNA)
where:
Base-Base interactions energy: -33.212
where: short stacking energy: -31.569
Base-Backbone interact. energy: 0.049
local terms energy: -58.727110
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -85.936908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936908 (E_RNA)
where:
Base-Base interactions energy: -38.373
where: short stacking energy: -16.690
Base-Backbone interact. energy: -0.663
local terms energy: -46.901266
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: 4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -313.495225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.495225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.495225 (E_RNA)
where:
Base-Base interactions energy: -230.629
where: short stacking energy: -83.368
Base-Backbone interact. energy: 2.498
local terms energy: -85.363603
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -24.093
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: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -288.758512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.758512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.758512 (E_RNA)
where:
Base-Base interactions energy: -195.346
where: short stacking energy: -89.358
Base-Backbone interact. energy: -0.014
local terms energy: -93.397849
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -24.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -288.115840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.115840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.115840 (E_RNA)
where:
Base-Base interactions energy: -202.989
where: short stacking energy: -81.948
Base-Backbone interact. energy: -0.043
local terms energy: -85.083350
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -23.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -267.189492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.189492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.189492 (E_RNA)
where:
Base-Base interactions energy: -176.705
where: short stacking energy: -76.010
Base-Backbone interact. energy: -0.117
local terms energy: -90.367732
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -22.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -267.967545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.967545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.967545 (E_RNA)
where:
Base-Base interactions energy: -183.183
where: short stacking energy: -65.872
Base-Backbone interact. energy: -0.494
local terms energy: -84.289855
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -261.343628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.343628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.343628 (E_RNA)
where:
Base-Base interactions energy: -176.529
where: short stacking energy: -74.345
Base-Backbone interact. energy: -0.859
local terms energy: -83.955934
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -191.593072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.593072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.593072 (E_RNA)
where:
Base-Base interactions energy: -123.271
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.410
local terms energy: -67.912132
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -104.676984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.676984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.676984 (E_RNA)
where:
Base-Base interactions energy: -37.996
where: short stacking energy: -37.996
Base-Backbone interact. energy: -0.695
local terms energy: -65.986183
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -5.140
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: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -94.248003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.248003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.248003 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -28.919
Base-Backbone interact. energy: -0.307
local terms energy: -59.782953
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -2.023
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: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -86.649528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.649528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.649528 (E_RNA)
where:
Base-Base interactions energy: -21.038
where: short stacking energy: -21.038
Base-Backbone interact. energy: -0.035
local terms energy: -65.575704
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -8.148
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: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -318.136515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.136515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.136515 (E_RNA)
where:
Base-Base interactions energy: -238.421
where: short stacking energy: -81.502
Base-Backbone interact. energy: -0.259
local terms energy: -79.455945
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -288.777193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.777193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.777193 (E_RNA)
where:
Base-Base interactions energy: -189.372
where: short stacking energy: -88.449
Base-Backbone interact. energy: -0.051
local terms energy: -99.353721
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -29.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -291.102521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.102521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.102521 (E_RNA)
where:
Base-Base interactions energy: -200.960
where: short stacking energy: -80.675
Base-Backbone interact. energy: -0.038
local terms energy: -90.104497
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -23.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -278.636295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.636295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.636295 (E_RNA)
where:
Base-Base interactions energy: -196.799
where: short stacking energy: -73.869
Base-Backbone interact. energy: -0.115
local terms energy: -81.722498
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -280.266860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.266860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.266860 (E_RNA)
where:
Base-Base interactions energy: -186.636
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.627
local terms energy: -93.004609
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -17.031
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: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -258.978962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.978962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.978962 (E_RNA)
where:
Base-Base interactions energy: -171.446
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.030
local terms energy: -87.503073
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -23.695
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: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -214.649536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.649536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.649536 (E_RNA)
where:
Base-Base interactions energy: -150.919
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.183
local terms energy: -63.546623
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -9.416
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: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -97.467914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.467914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.467914 (E_RNA)
where:
Base-Base interactions energy: -35.721
where: short stacking energy: -24.546
Base-Backbone interact. energy: -0.137
local terms energy: -61.609350
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: 0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -94.969323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.969323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.969323 (E_RNA)
where:
Base-Base interactions energy: -40.727
where: short stacking energy: -20.887
Base-Backbone interact. energy: -0.118
local terms energy: -54.124526
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -87.152583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.152583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.152583 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -31.581
Base-Backbone interact. energy: -0.728
local terms energy: -52.786676
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -4.666
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: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -288.765005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.765005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.765005 (E_RNA)
where:
Base-Base interactions energy: -188.403
where: short stacking energy: -90.923
Base-Backbone interact. energy: -0.164
local terms energy: -100.197606
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -28.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -318.788887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.788887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.788887 (E_RNA)
where:
Base-Base interactions energy: -232.230
where: short stacking energy: -81.783
Base-Backbone interact. energy: 1.964
local terms energy: -88.523290
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -284.982428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.982428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.982428 (E_RNA)
where:
Base-Base interactions energy: -196.559
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.327
local terms energy: -88.096730
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -284.490278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.490278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.490278 (E_RNA)
where:
Base-Base interactions energy: -198.690
where: short stacking energy: -84.490
Base-Backbone interact. energy: -0.163
local terms energy: -85.637526
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -246.712359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.712359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.712359 (E_RNA)
where:
Base-Base interactions energy: -159.820
where: short stacking energy: -78.166
Base-Backbone interact. energy: -1.205
local terms energy: -85.687892
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -20.434
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: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -262.107299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.107299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.107299 (E_RNA)
where:
Base-Base interactions energy: -172.334
where: short stacking energy: -77.497
Base-Backbone interact. energy: -0.105
local terms energy: -89.667680
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -13.105
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: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -192.322485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.322485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.322485 (E_RNA)
where:
Base-Base interactions energy: -113.885
where: short stacking energy: -51.695
Base-Backbone interact. energy: -0.135
local terms energy: -78.302398
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -86.658802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.658802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.658802 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -30.256
Base-Backbone interact. energy: -0.393
local terms energy: -56.009734
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -112.534326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.534326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.534326 (E_RNA)
where:
Base-Base interactions energy: -52.165
where: short stacking energy: -46.537
Base-Backbone interact. energy: -0.822
local terms energy: -59.547676
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -7.008
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.597
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: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -86.124958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.124958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.124958 (E_RNA)
where:
Base-Base interactions energy: -36.255
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.142
local terms energy: -49.728048
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -295.374751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.374751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.374751 (E_RNA)
where:
Base-Base interactions energy: -198.600
where: short stacking energy: -91.721
Base-Backbone interact. energy: -0.116
local terms energy: -96.658428
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -27.769
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: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -309.465393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.465393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.465393 (E_RNA)
where:
Base-Base interactions energy: -219.933
where: short stacking energy: -79.256
Base-Backbone interact. energy: 0.431
local terms energy: -89.962950
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -279.201801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.201801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.201801 (E_RNA)
where:
Base-Base interactions energy: -192.957
where: short stacking energy: -72.508
Base-Backbone interact. energy: -0.432
local terms energy: -85.812704
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -22.568
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: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -277.772896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.772896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.772896 (E_RNA)
where:
Base-Base interactions energy: -179.178
where: short stacking energy: -82.436
Base-Backbone interact. energy: -0.025
local terms energy: -98.569117
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -28.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -245.050666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.050666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.050666 (E_RNA)
where:
Base-Base interactions energy: -168.143
where: short stacking energy: -66.753
Base-Backbone interact. energy: -0.038
local terms energy: -76.869437
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -201.787466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.787466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.787466 (E_RNA)
where:
Base-Base interactions energy: -129.880
where: short stacking energy: -62.502
Base-Backbone interact. energy: 2.664
local terms energy: -74.570539
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -249.049253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.049253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.049253 (E_RNA)
where:
Base-Base interactions energy: -164.754
where: short stacking energy: -74.515
Base-Backbone interact. energy: -0.010
local terms energy: -84.285137
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -98.778260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.778260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.778260 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -23.046
Base-Backbone interact. energy: 0.127
local terms energy: -63.814883
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -107.553113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.553113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.553113 (E_RNA)
where:
Base-Base interactions energy: -39.466
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.576
local terms energy: -67.510960
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -5.592
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: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -93.984132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.984132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.984132 (E_RNA)
where:
Base-Base interactions energy: -29.399
where: short stacking energy: -23.699
Base-Backbone interact. energy: -0.454
local terms energy: -64.130332
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: 1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -319.899014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.899014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.899014 (E_RNA)
where:
Base-Base interactions energy: -229.942
where: short stacking energy: -86.492
Base-Backbone interact. energy: 0.230
local terms energy: -90.187199
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -21.254
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: 234
Temperature: 0.950000
Total energy: -289.023999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.023999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.023999 (E_RNA)
where:
Base-Base interactions energy: -195.280
where: short stacking energy: -85.763
Base-Backbone interact. energy: -0.027
local terms energy: -93.716780
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -15.150
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: 234
Temperature: 1.000000
Total energy: -283.382999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.382999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.382999 (E_RNA)
where:
Base-Base interactions energy: -181.863
where: short stacking energy: -84.868
Base-Backbone interact. energy: -0.458
local terms energy: -101.061867
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -17.270
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: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -268.056523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.056523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.056523 (E_RNA)
where:
Base-Base interactions energy: -188.167
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.189
local terms energy: -79.701129
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -256.992205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.992205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.992205 (E_RNA)
where:
Base-Base interactions energy: -171.342
where: short stacking energy: -72.519
Base-Backbone interact. energy: -0.109
local terms energy: -85.540929
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -259.049163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.049163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.049163 (E_RNA)
where:
Base-Base interactions energy: -177.436
where: short stacking energy: -66.524
Base-Backbone interact. energy: -0.026
local terms energy: -81.587134
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -227.519467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.519467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.519467 (E_RNA)
where:
Base-Base interactions energy: -150.485
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.686
local terms energy: -76.348795
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -16.875
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: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -98.336728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.336728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.336728 (E_RNA)
where:
Base-Base interactions energy: -37.721
where: short stacking energy: -37.721
Base-Backbone interact. energy: -0.172
local terms energy: -60.444057
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -87.403414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.403414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.403414 (E_RNA)
where:
Base-Base interactions energy: -27.630
where: short stacking energy: -24.532
Base-Backbone interact. energy: 1.083
local terms energy: -60.855582
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -91.097322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.097322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.097322 (E_RNA)
where:
Base-Base interactions energy: -34.291
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.323
local terms energy: -56.482591
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -318.224593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.224593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.224593 (E_RNA)
where:
Base-Base interactions energy: -227.199
where: short stacking energy: -81.567
Base-Backbone interact. energy: 0.420
local terms energy: -91.445635
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -11.851
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: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -283.836685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.836685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.836685 (E_RNA)
where:
Base-Base interactions energy: -185.308
where: short stacking energy: -78.488
Base-Backbone interact. energy: -0.093
local terms energy: -98.436348
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -15.541
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: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -281.633561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.633561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.633561 (E_RNA)
where:
Base-Base interactions energy: -181.270
where: short stacking energy: -82.273
Base-Backbone interact. energy: -0.009
local terms energy: -100.354042
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -26.547
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: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -279.773243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.773243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.773243 (E_RNA)
where:
Base-Base interactions energy: -184.867
where: short stacking energy: -82.898
Base-Backbone interact. energy: -0.394
local terms energy: -94.512721
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -273.583635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.583635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.583635 (E_RNA)
where:
Base-Base interactions energy: -194.062
where: short stacking energy: -75.773
Base-Backbone interact. energy: -0.060
local terms energy: -79.461570
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -1.599
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -249.847591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.847591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.847591 (E_RNA)
where:
Base-Base interactions energy: -170.471
where: short stacking energy: -76.797
Base-Backbone interact. energy: -0.083
local terms energy: -79.294412
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -243.110826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.110826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.110826 (E_RNA)
where:
Base-Base interactions energy: -160.158
where: short stacking energy: -67.866
Base-Backbone interact. energy: -0.081
local terms energy: -82.871963
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -111.689456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.689456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.689456 (E_RNA)
where:
Base-Base interactions energy: -41.067
where: short stacking energy: -37.929
Base-Backbone interact. energy: -0.120
local terms energy: -70.502305
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -92.579563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.579563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.579563 (E_RNA)
where:
Base-Base interactions energy: -37.469
where: short stacking energy: -35.066
Base-Backbone interact. energy: -0.769
local terms energy: -54.341003
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -1.425
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: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -91.066065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.066065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.066065 (E_RNA)
where:
Base-Base interactions energy: -40.437
where: short stacking energy: -20.267
Base-Backbone interact. energy: -0.424
local terms energy: -50.205237
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: 3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -316.528751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.528751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.528751 (E_RNA)
where:
Base-Base interactions energy: -228.944
where: short stacking energy: -83.171
Base-Backbone interact. energy: 0.122
local terms energy: -87.706222
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -292.286103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.286103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.286103 (E_RNA)
where:
Base-Base interactions energy: -201.719
where: short stacking energy: -82.787
Base-Backbone interact. energy: -0.051
local terms energy: -90.516254
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -25.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -281.317996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.317996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.317996 (E_RNA)
where:
Base-Base interactions energy: -187.141
where: short stacking energy: -79.473
Base-Backbone interact. energy: -0.006
local terms energy: -94.171388
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -9.135
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: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -276.199813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.199813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.199813 (E_RNA)
where:
Base-Base interactions energy: -181.654
where: short stacking energy: -80.171
Base-Backbone interact. energy: -0.013
local terms energy: -94.533269
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -25.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -233.913627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.913627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.913627 (E_RNA)
where:
Base-Base interactions energy: -156.745
where: short stacking energy: -59.741
Base-Backbone interact. energy: -0.200
local terms energy: -76.968983
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -251.258689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.258689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.258689 (E_RNA)
where:
Base-Base interactions energy: -168.142
where: short stacking energy: -72.700
Base-Backbone interact. energy: -0.063
local terms energy: -83.054451
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -249.817054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.817054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.817054 (E_RNA)
where:
Base-Base interactions energy: -170.311
where: short stacking energy: -68.568
Base-Backbone interact. energy: -0.044
local terms energy: -79.461600
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -103.497016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.497016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.497016 (E_RNA)
where:
Base-Base interactions energy: -35.181
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.305
local terms energy: -68.010899
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -89.206037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.206037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.206037 (E_RNA)
where:
Base-Base interactions energy: -31.435
where: short stacking energy: -26.134
Base-Backbone interact. energy: -0.315
local terms energy: -57.456189
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -89.162113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.162113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.162113 (E_RNA)
where:
Base-Base interactions energy: -26.642
where: short stacking energy: -24.946
Base-Backbone interact. energy: -0.332
local terms energy: -62.187888
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: 2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -319.300601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.300601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.300601 (E_RNA)
where:
Base-Base interactions energy: -234.976
where: short stacking energy: -82.973
Base-Backbone interact. energy: 0.148
local terms energy: -84.472542
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -284.963929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.963929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.963929 (E_RNA)
where:
Base-Base interactions energy: -196.199
where: short stacking energy: -82.771
Base-Backbone interact. energy: -0.348
local terms energy: -88.417592
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -23.193
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -285.178153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.178153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.178153 (E_RNA)
where:
Base-Base interactions energy: -196.184
where: short stacking energy: -79.257
Base-Backbone interact. energy: -0.667
local terms energy: -88.327122
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -272.478869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.478869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.478869 (E_RNA)
where:
Base-Base interactions energy: -180.376
where: short stacking energy: -78.614
Base-Backbone interact. energy: -0.213
local terms energy: -91.890200
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -24.134
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: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -255.835370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.835370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.835370 (E_RNA)
where:
Base-Base interactions energy: -173.658
where: short stacking energy: -73.000
Base-Backbone interact. energy: -0.094
local terms energy: -82.083369
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -238.750478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.750478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.750478 (E_RNA)
where:
Base-Base interactions energy: -162.521
where: short stacking energy: -65.980
Base-Backbone interact. energy: -0.092
local terms energy: -76.137350
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -231.724161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.724161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.724161 (E_RNA)
where:
Base-Base interactions energy: -156.395
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.319
local terms energy: -75.010688
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -16.915
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: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -102.168733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.168733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.168733 (E_RNA)
where:
Base-Base interactions energy: -44.598
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.602
local terms energy: -56.968872
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -9.618
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -111.992115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.992115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.992115 (E_RNA)
where:
Base-Base interactions energy: -51.639
where: short stacking energy: -51.196
Base-Backbone interact. energy: -0.284
local terms energy: -60.068553
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -9.624
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: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -93.681454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.681454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.681454 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -29.221
Base-Backbone interact. energy: -0.133
local terms energy: -61.872040
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -318.487604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.487604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.487604 (E_RNA)
where:
Base-Base interactions energy: -230.766
where: short stacking energy: -81.975
Base-Backbone interact. energy: 0.132
local terms energy: -87.854568
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -279.182548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.182548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.182548 (E_RNA)
where:
Base-Base interactions energy: -188.251
where: short stacking energy: -83.666
Base-Backbone interact. energy: -0.061
local terms energy: -90.870543
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -298.316244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.316244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.316244 (E_RNA)
where:
Base-Base interactions energy: -208.833
where: short stacking energy: -87.191
Base-Backbone interact. energy: -0.094
local terms energy: -89.389027
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -24.794
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: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -256.794404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.794404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.794404 (E_RNA)
where:
Base-Base interactions energy: -164.157
where: short stacking energy: -75.205
Base-Backbone interact. energy: 1.626
local terms energy: -94.263584
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -262.475568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.475568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.475568 (E_RNA)
where:
Base-Base interactions energy: -177.979
where: short stacking energy: -75.703
Base-Backbone interact. energy: -0.063
local terms energy: -84.433199
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -20.056
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: 238
Temperature: 1.150000
Total energy: -260.968183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.968183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.968183 (E_RNA)
where:
Base-Base interactions energy: -171.237
where: short stacking energy: -79.217
Base-Backbone interact. energy: -0.065
local terms energy: -89.666208
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -7.997
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: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -235.431714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.431714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.431714 (E_RNA)
where:
Base-Base interactions energy: -152.805
where: short stacking energy: -72.482
Base-Backbone interact. energy: -0.124
local terms energy: -82.502639
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -98.330095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.330095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.330095 (E_RNA)
where:
Base-Base interactions energy: -37.903
where: short stacking energy: -27.414
Base-Backbone interact. energy: -0.255
local terms energy: -60.171731
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: 3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -92.757391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.757391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.757391 (E_RNA)
where:
Base-Base interactions energy: -31.985
where: short stacking energy: -20.128
Base-Backbone interact. energy: 0.439
local terms energy: -61.211724
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -80.266558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.266558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.266558 (E_RNA)
where:
Base-Base interactions energy: -23.294
where: short stacking energy: -19.655
Base-Backbone interact. energy: -0.337
local terms energy: -56.636176
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -316.439015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.439015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.439015 (E_RNA)
where:
Base-Base interactions energy: -233.825
where: short stacking energy: -76.013
Base-Backbone interact. energy: 0.196
local terms energy: -82.810487
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -281.323065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.323065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.323065 (E_RNA)
where:
Base-Base interactions energy: -193.737
where: short stacking energy: -75.010
Base-Backbone interact. energy: -0.056
local terms energy: -87.530528
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -22.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -278.261013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.261013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.261013 (E_RNA)
where:
Base-Base interactions energy: -189.084
where: short stacking energy: -78.228
Base-Backbone interact. energy: -0.161
local terms energy: -89.016132
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -23.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -252.684989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.684989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.684989 (E_RNA)
where:
Base-Base interactions energy: -167.317
where: short stacking energy: -68.922
Base-Backbone interact. energy: -0.006
local terms energy: -85.361523
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -8.336
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: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -253.754398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.754398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.754398 (E_RNA)
where:
Base-Base interactions energy: -167.597
where: short stacking energy: -72.507
Base-Backbone interact. energy: -0.871
local terms energy: -85.286927
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -235.838961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.838961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.838961 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.224
local terms energy: -83.557186
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -21.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -233.548907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548907 (E_RNA)
where:
Base-Base interactions energy: -153.956
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.217
local terms energy: -79.376247
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -25.264
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: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -114.724080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.724080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.724080 (E_RNA)
where:
Base-Base interactions energy: -59.991
where: short stacking energy: -43.723
Base-Backbone interact. energy: -0.151
local terms energy: -54.582146
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -2.196
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: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -90.485198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.485198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.485198 (E_RNA)
where:
Base-Base interactions energy: -35.067
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.291
local terms energy: -55.127115
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: 0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -99.430509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.430509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.430509 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -37.202
Base-Backbone interact. energy: -0.096
local terms energy: -60.034268
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -326.572672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.572672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.572672 (E_RNA)
where:
Base-Base interactions energy: -234.709
where: short stacking energy: -82.743
Base-Backbone interact. energy: 0.928
local terms energy: -92.791388
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -294.515079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.515079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.515079 (E_RNA)
where:
Base-Base interactions energy: -196.797
where: short stacking energy: -86.186
Base-Backbone interact. energy: -0.299
local terms energy: -97.419701
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -26.381
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: 240
Temperature: 1.000000
Total energy: -249.163669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.163669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.163669 (E_RNA)
where:
Base-Base interactions energy: -177.968
where: short stacking energy: -59.588
Base-Backbone interact. energy: -0.393
local terms energy: -70.802951
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -288.043197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.043197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.043197 (E_RNA)
where:
Base-Base interactions energy: -189.747
where: short stacking energy: -91.875
Base-Backbone interact. energy: -0.013
local terms energy: -98.283019
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -27.191
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: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -266.383245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.383245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.383245 (E_RNA)
where:
Base-Base interactions energy: -184.413
where: short stacking energy: -70.651
Base-Backbone interact. energy: 0.340
local terms energy: -82.311080
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -262.418163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.418163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.418163 (E_RNA)
where:
Base-Base interactions energy: -176.318
where: short stacking energy: -79.581
Base-Backbone interact. energy: -0.100
local terms energy: -86.000234
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -26.301
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: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -240.571389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.571389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.571389 (E_RNA)
where:
Base-Base interactions energy: -162.968
where: short stacking energy: -63.491
Base-Backbone interact. energy: -0.357
local terms energy: -77.246982
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -127.231767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.231767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.231767 (E_RNA)
where:
Base-Base interactions energy: -74.411
where: short stacking energy: -39.856
Base-Backbone interact. energy: 0.439
local terms energy: -53.259834
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -9.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -92.726532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.726532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.726532 (E_RNA)
where:
Base-Base interactions energy: -24.590
where: short stacking energy: -24.590
Base-Backbone interact. energy: -0.204
local terms energy: -67.932228
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -10.541
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: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -91.019951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.019951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.019951 (E_RNA)
where:
Base-Base interactions energy: -44.821
where: short stacking energy: -30.002
Base-Backbone interact. energy: 1.536
local terms energy: -47.734237
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -317.872862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.872862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.872862 (E_RNA)
where:
Base-Base interactions energy: -233.386
where: short stacking energy: -85.082
Base-Backbone interact. energy: 0.108
local terms energy: -84.595565
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -12.075
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: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -264.891776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.891776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.891776 (E_RNA)
where:
Base-Base interactions energy: -180.719
where: short stacking energy: -71.064
Base-Backbone interact. energy: -0.029
local terms energy: -84.143459
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -18.511
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: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -269.850316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.850316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.850316 (E_RNA)
where:
Base-Base interactions energy: -178.893
where: short stacking energy: -82.464
Base-Backbone interact. energy: -0.256
local terms energy: -90.701084
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -24.358
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: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -274.925693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.925693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.925693 (E_RNA)
where:
Base-Base interactions energy: -182.357
where: short stacking energy: -84.505
Base-Backbone interact. energy: 1.665
local terms energy: -94.234250
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -27.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -270.374630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.374630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.374630 (E_RNA)
where:
Base-Base interactions energy: -188.933
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.010
local terms energy: -81.431821
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -254.255403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.255403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.255403 (E_RNA)
where:
Base-Base interactions energy: -168.743
where: short stacking energy: -80.824
Base-Backbone interact. energy: -0.086
local terms energy: -85.427271
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -25.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -231.960958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.960958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.960958 (E_RNA)
where:
Base-Base interactions energy: -160.333
where: short stacking energy: -64.850
Base-Backbone interact. energy: -0.242
local terms energy: -71.385328
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -16.238
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: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -119.078913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.078913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.078913 (E_RNA)
where:
Base-Base interactions energy: -52.636
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.138
local terms energy: -66.304215
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -9.413
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: 241
Temperature: 1.300000
Total energy: -98.605879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.605879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.605879 (E_RNA)
where:
Base-Base interactions energy: -46.467
where: short stacking energy: -28.139
Base-Backbone interact. energy: -0.119
local terms energy: -52.019992
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -2.716
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -92.331744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.331744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.331744 (E_RNA)
where:
Base-Base interactions energy: -31.473
where: short stacking energy: -31.473
Base-Backbone interact. energy: 0.150
local terms energy: -61.009326
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -5.029
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: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -308.460287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.460287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.460287 (E_RNA)
where:
Base-Base interactions energy: -222.652
where: short stacking energy: -71.343
Base-Backbone interact. energy: 0.246
local terms energy: -86.053603
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -260.680767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.680767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.680767 (E_RNA)
where:
Base-Base interactions energy: -178.793
where: short stacking energy: -70.530
Base-Backbone interact. energy: -0.074
local terms energy: -81.813114
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -288.437465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.437465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.437465 (E_RNA)
where:
Base-Base interactions energy: -204.304
where: short stacking energy: -80.982
Base-Backbone interact. energy: -0.093
local terms energy: -84.040792
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -13.647
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: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -278.514892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.514892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.514892 (E_RNA)
where:
Base-Base interactions energy: -181.155
where: short stacking energy: -82.973
Base-Backbone interact. energy: -0.002
local terms energy: -97.358190
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -28.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -259.701887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.701887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.701887 (E_RNA)
where:
Base-Base interactions energy: -178.171
where: short stacking energy: -74.754
Base-Backbone interact. energy: -0.866
local terms energy: -80.664812
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -24.153
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: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -249.877128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.877128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.877128 (E_RNA)
where:
Base-Base interactions energy: -170.141
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.213
local terms energy: -79.523155
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -249.096686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.096686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.096686 (E_RNA)
where:
Base-Base interactions energy: -158.305
where: short stacking energy: -75.693
Base-Backbone interact. energy: -0.023
local terms energy: -90.768409
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -100.828543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.828543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.828543 (E_RNA)
where:
Base-Base interactions energy: -36.716
where: short stacking energy: -26.182
Base-Backbone interact. energy: -0.196
local terms energy: -63.916097
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -92.208452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.208452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.208452 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -24.985
Base-Backbone interact. energy: -0.130
local terms energy: -57.031586
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -81.772593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772593 (E_RNA)
where:
Base-Base interactions energy: -29.843
where: short stacking energy: -22.392
Base-Backbone interact. energy: -0.089
local terms energy: -51.840712
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: 3.105
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: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -315.967415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.967415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.967415 (E_RNA)
where:
Base-Base interactions energy: -222.265
where: short stacking energy: -82.488
Base-Backbone interact. energy: 0.482
local terms energy: -94.183990
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -22.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -297.627436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.627436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.627436 (E_RNA)
where:
Base-Base interactions energy: -200.988
where: short stacking energy: -76.746
Base-Backbone interact. energy: 0.692
local terms energy: -97.330758
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -21.763
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: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -253.207786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.207786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.207786 (E_RNA)
where:
Base-Base interactions energy: -166.901
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.407
local terms energy: -85.899740
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -21.814
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: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -281.198397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.198397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.198397 (E_RNA)
where:
Base-Base interactions energy: -190.361
where: short stacking energy: -82.848
Base-Backbone interact. energy: -0.002
local terms energy: -90.835421
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -25.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -274.359041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.359041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.359041 (E_RNA)
where:
Base-Base interactions energy: -181.658
where: short stacking energy: -75.586
Base-Backbone interact. energy: 0.601
local terms energy: -93.301822
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -15.310
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: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -225.313092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.313092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.313092 (E_RNA)
where:
Base-Base interactions energy: -158.225
where: short stacking energy: -69.205
Base-Backbone interact. energy: 0.032
local terms energy: -67.120062
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -16.380
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: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -238.878513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.878513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.878513 (E_RNA)
where:
Base-Base interactions energy: -169.250
where: short stacking energy: -75.866
Base-Backbone interact. energy: -0.002
local terms energy: -69.626473
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -17.106
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: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -98.285702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.285702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.285702 (E_RNA)
where:
Base-Base interactions energy: -44.521
where: short stacking energy: -20.670
Base-Backbone interact. energy: -0.128
local terms energy: -53.635957
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: 2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -102.418929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.418929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.418929 (E_RNA)
where:
Base-Base interactions energy: -48.859
where: short stacking energy: -41.964
Base-Backbone interact. energy: -0.142
local terms energy: -53.417601
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -4.390
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: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -97.723339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.723339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.723339 (E_RNA)
where:
Base-Base interactions energy: -35.623
where: short stacking energy: -35.623
Base-Backbone interact. energy: 2.381
local terms energy: -64.481621
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -312.639852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.639852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.639852 (E_RNA)
where:
Base-Base interactions energy: -220.271
where: short stacking energy: -76.593
Base-Backbone interact. energy: 0.272
local terms energy: -92.640566
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -296.150985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.150985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.150985 (E_RNA)
where:
Base-Base interactions energy: -199.332
where: short stacking energy: -86.377
Base-Backbone interact. energy: -0.390
local terms energy: -96.428908
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -23.665
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -287.388102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.388102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.388102 (E_RNA)
where:
Base-Base interactions energy: -187.557
where: short stacking energy: -87.941
Base-Backbone interact. energy: -0.083
local terms energy: -99.747277
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -28.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -252.705487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.705487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.705487 (E_RNA)
where:
Base-Base interactions energy: -164.609
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.693
local terms energy: -87.403569
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -270.915299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.915299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.915299 (E_RNA)
where:
Base-Base interactions energy: -179.604
where: short stacking energy: -76.208
Base-Backbone interact. energy: -0.043
local terms energy: -91.268355
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -25.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -268.628049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.628049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.628049 (E_RNA)
where:
Base-Base interactions energy: -173.668
where: short stacking energy: -82.801
Base-Backbone interact. energy: -0.259
local terms energy: -94.700623
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -29.008
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -234.340017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.340017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.340017 (E_RNA)
where:
Base-Base interactions energy: -154.743
where: short stacking energy: -58.892
Base-Backbone interact. energy: -0.031
local terms energy: -79.565835
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -16.104
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: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -85.631098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.631098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.631098 (E_RNA)
where:
Base-Base interactions energy: -35.107
where: short stacking energy: -32.627
Base-Backbone interact. energy: -0.249
local terms energy: -50.274452
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -5.720
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: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -97.945289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.945289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.945289 (E_RNA)
where:
Base-Base interactions energy: -42.352
where: short stacking energy: -22.596
Base-Backbone interact. energy: -0.558
local terms energy: -55.034838
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -94.617407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.617407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.617407 (E_RNA)
where:
Base-Base interactions energy: -34.814
where: short stacking energy: -18.469
Base-Backbone interact. energy: -0.198
local terms energy: -59.605318
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -309.765144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.765144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.765144 (E_RNA)
where:
Base-Base interactions energy: -224.567
where: short stacking energy: -80.601
Base-Backbone interact. energy: 0.261
local terms energy: -85.459710
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -292.091278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.091278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.091278 (E_RNA)
where:
Base-Base interactions energy: -206.317
where: short stacking energy: -86.251
Base-Backbone interact. energy: -0.096
local terms energy: -85.678772
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -285.255475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.255475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.255475 (E_RNA)
where:
Base-Base interactions energy: -184.422
where: short stacking energy: -83.040
Base-Backbone interact. energy: -0.140
local terms energy: -100.693804
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -27.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -272.087271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.087271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.087271 (E_RNA)
where:
Base-Base interactions energy: -189.235
where: short stacking energy: -69.262
Base-Backbone interact. energy: -0.135
local terms energy: -82.716809
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -21.814
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: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -248.580879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.580879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.580879 (E_RNA)
where:
Base-Base interactions energy: -157.923
where: short stacking energy: -66.214
Base-Backbone interact. energy: -0.201
local terms energy: -90.456599
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -239.689311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.689311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.689311 (E_RNA)
where:
Base-Base interactions energy: -147.728
where: short stacking energy: -71.814
Base-Backbone interact. energy: -0.078
local terms energy: -91.883198
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -20.827
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: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -238.560864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.560864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.560864 (E_RNA)
where:
Base-Base interactions energy: -162.263
where: short stacking energy: -72.044
Base-Backbone interact. energy: -0.236
local terms energy: -76.061742
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -12.382
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: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -89.633703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.633703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.633703 (E_RNA)
where:
Base-Base interactions energy: -35.387
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.018
local terms energy: -54.228848
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -94.998802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.998802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.998802 (E_RNA)
where:
Base-Base interactions energy: -38.087
where: short stacking energy: -29.747
Base-Backbone interact. energy: -0.256
local terms energy: -56.656715
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -5.347
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: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -85.271979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.271979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.271979 (E_RNA)
where:
Base-Base interactions energy: -29.252
where: short stacking energy: -29.143
Base-Backbone interact. energy: -0.141
local terms energy: -55.878627
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: 1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -283.806983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.806983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.806983 (E_RNA)
where:
Base-Base interactions energy: -193.202
where: short stacking energy: -88.837
Base-Backbone interact. energy: -0.882
local terms energy: -89.723099
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -24.868
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: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -313.154505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.154505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.154505 (E_RNA)
where:
Base-Base interactions energy: -229.113
where: short stacking energy: -85.723
Base-Backbone interact. energy: 0.374
local terms energy: -84.415429
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -14.939
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: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -275.677433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.677433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.677433 (E_RNA)
where:
Base-Base interactions energy: -178.622
where: short stacking energy: -85.088
Base-Backbone interact. energy: -0.349
local terms energy: -96.706706
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -25.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -274.214823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.214823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.214823 (E_RNA)
where:
Base-Base interactions energy: -185.563
where: short stacking energy: -75.561
Base-Backbone interact. energy: -1.201
local terms energy: -87.450652
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -25.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -274.600840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.600840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.600840 (E_RNA)
where:
Base-Base interactions energy: -187.887
where: short stacking energy: -85.046
Base-Backbone interact. energy: -0.004
local terms energy: -86.709485
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -11.439
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: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -231.705758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.705758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.705758 (E_RNA)
where:
Base-Base interactions energy: -152.481
where: short stacking energy: -58.027
Base-Backbone interact. energy: 0.766
local terms energy: -79.990565
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -5.073
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: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -232.130953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.130953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.130953 (E_RNA)
where:
Base-Base interactions energy: -169.240
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.045
local terms energy: -62.845951
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -92.832930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.832930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.832930 (E_RNA)
where:
Base-Base interactions energy: -29.121
where: short stacking energy: -29.121
Base-Backbone interact. energy: 0.009
local terms energy: -63.720074
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -7.061
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: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -105.262366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.262366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.262366 (E_RNA)
where:
Base-Base interactions energy: -42.335
where: short stacking energy: -42.218
Base-Backbone interact. energy: -0.250
local terms energy: -62.677886
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -89.731776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.731776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.731776 (E_RNA)
where:
Base-Base interactions energy: -27.689
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.448
local terms energy: -61.594998
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -8.282
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: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -298.251510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.251510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.251510 (E_RNA)
where:
Base-Base interactions energy: -203.969
where: short stacking energy: -85.454
Base-Backbone interact. energy: -0.104
local terms energy: -94.178002
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -22.148
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: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -312.867269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.867269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.867269 (E_RNA)
where:
Base-Base interactions energy: -229.187
where: short stacking energy: -85.527
Base-Backbone interact. energy: 2.257
local terms energy: -85.937275
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -22.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -284.811408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.811408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.811408 (E_RNA)
where:
Base-Base interactions energy: -189.772
where: short stacking energy: -87.530
Base-Backbone interact. energy: -0.363
local terms energy: -94.676602
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -27.956
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: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -258.771529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.771529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.771529 (E_RNA)
where:
Base-Base interactions energy: -176.716
where: short stacking energy: -73.823
Base-Backbone interact. energy: -1.258
local terms energy: -80.798094
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -262.134275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.134275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.134275 (E_RNA)
where:
Base-Base interactions energy: -175.273
where: short stacking energy: -73.314
Base-Backbone interact. energy: -0.014
local terms energy: -86.846581
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -226.350505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.350505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.350505 (E_RNA)
where:
Base-Base interactions energy: -157.392
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.386
local terms energy: -68.573171
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -224.594592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.594592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.594592 (E_RNA)
where:
Base-Base interactions energy: -159.012
where: short stacking energy: -60.229
Base-Backbone interact. energy: 0.966
local terms energy: -66.548180
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -96.490716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.490716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.490716 (E_RNA)
where:
Base-Base interactions energy: -37.194
where: short stacking energy: -34.920
Base-Backbone interact. energy: -0.561
local terms energy: -58.736303
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -93.285348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.285348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.285348 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.052
local terms energy: -55.483468
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: 1.244
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: 247
Temperature: 1.350000
Total energy: -88.300546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.300546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.300546 (E_RNA)
where:
Base-Base interactions energy: -25.879
where: short stacking energy: -25.003
Base-Backbone interact. energy: 0.046
local terms energy: -62.467509
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -4.787
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: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -315.796687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.796687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.796687 (E_RNA)
where:
Base-Base interactions energy: -227.047
where: short stacking energy: -87.411
Base-Backbone interact. energy: 4.580
local terms energy: -93.329872
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -24.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -296.417277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.417277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.417277 (E_RNA)
where:
Base-Base interactions energy: -201.096
where: short stacking energy: -84.878
Base-Backbone interact. energy: -0.590
local terms energy: -94.730491
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -285.488848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.488848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.488848 (E_RNA)
where:
Base-Base interactions energy: -189.639
where: short stacking energy: -83.325
Base-Backbone interact. energy: -0.595
local terms energy: -95.255635
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -17.148
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -271.191887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.191887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.191887 (E_RNA)
where:
Base-Base interactions energy: -177.926
where: short stacking energy: -79.362
Base-Backbone interact. energy: -0.510
local terms energy: -92.756324
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -14.267
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: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -239.267366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.267366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.267366 (E_RNA)
where:
Base-Base interactions energy: -160.209
where: short stacking energy: -64.003
Base-Backbone interact. energy: 0.670
local terms energy: -79.728098
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -9.379
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: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -236.217980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.217980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.217980 (E_RNA)
where:
Base-Base interactions energy: -163.117
where: short stacking energy: -72.087
Base-Backbone interact. energy: 5.043
local terms energy: -78.144109
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -178.722184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.722184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.722184 (E_RNA)
where:
Base-Base interactions energy: -107.931
where: short stacking energy: -45.703
Base-Backbone interact. energy: 1.575
local terms energy: -72.365355
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -8.911
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: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -107.209062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.209062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.209062 (E_RNA)
where:
Base-Base interactions energy: -45.582
where: short stacking energy: -28.912
Base-Backbone interact. energy: -1.320
local terms energy: -60.307502
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -91.078534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.078534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.078534 (E_RNA)
where:
Base-Base interactions energy: -37.760
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.774
local terms energy: -52.544692
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: 3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -84.581410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.581410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.581410 (E_RNA)
where:
Base-Base interactions energy: -29.656
where: short stacking energy: -27.823
Base-Backbone interact. energy: -1.043
local terms energy: -53.882348
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.981
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: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -309.324345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.324345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.324345 (E_RNA)
where:
Base-Base interactions energy: -221.821
where: short stacking energy: -83.770
Base-Backbone interact. energy: -0.298
local terms energy: -87.204831
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -21.356
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: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -281.755145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.755145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.755145 (E_RNA)
where:
Base-Base interactions energy: -194.936
where: short stacking energy: -89.482
Base-Backbone interact. energy: -0.102
local terms energy: -86.716589
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -282.805344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.805344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.805344 (E_RNA)
where:
Base-Base interactions energy: -191.183
where: short stacking energy: -86.096
Base-Backbone interact. energy: -0.107
local terms energy: -91.514723
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -27.228
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: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -240.542049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.542049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.542049 (E_RNA)
where:
Base-Base interactions energy: -160.093
where: short stacking energy: -60.608
Base-Backbone interact. energy: -0.430
local terms energy: -80.019195
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -12.356
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: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -276.209488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.209488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.209488 (E_RNA)
where:
Base-Base interactions energy: -180.058
where: short stacking energy: -79.078
Base-Backbone interact. energy: -0.109
local terms energy: -96.042100
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -25.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -258.396992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.396992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.396992 (E_RNA)
where:
Base-Base interactions energy: -169.984
where: short stacking energy: -71.890
Base-Backbone interact. energy: -0.003
local terms energy: -88.409939
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -202.880304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.880304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.880304 (E_RNA)
where:
Base-Base interactions energy: -136.259
where: short stacking energy: -53.365
Base-Backbone interact. energy: -0.006
local terms energy: -66.615318
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -109.342735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.342735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.342735 (E_RNA)
where:
Base-Base interactions energy: -47.220
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.825
local terms energy: -61.297622
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -8.562
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: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -100.761565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.761565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.761565 (E_RNA)
where:
Base-Base interactions energy: -41.670
where: short stacking energy: -22.943
Base-Backbone interact. energy: 0.720
local terms energy: -59.810792
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -9.863
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: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -90.529547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.529547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.529547 (E_RNA)
where:
Base-Base interactions energy: -33.189
where: short stacking energy: -24.857
Base-Backbone interact. energy: -1.067
local terms energy: -56.273906
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -310.571088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.571088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.571088 (E_RNA)
where:
Base-Base interactions energy: -228.559
where: short stacking energy: -84.105
Base-Backbone interact. energy: 0.716
local terms energy: -82.727477
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -24.276
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: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -287.141390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.141390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.141390 (E_RNA)
where:
Base-Base interactions energy: -187.510
where: short stacking energy: -93.714
Base-Backbone interact. energy: -0.000
local terms energy: -99.630963
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -27.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -291.094018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.094018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.094018 (E_RNA)
where:
Base-Base interactions energy: -197.568
where: short stacking energy: -81.432
Base-Backbone interact. energy: -0.111
local terms energy: -93.415563
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -251.315334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.315334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.315334 (E_RNA)
where:
Base-Base interactions energy: -167.960
where: short stacking energy: -67.021
Base-Backbone interact. energy: 1.381
local terms energy: -84.736483
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.230
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: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -270.343257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.343257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.343257 (E_RNA)
where:
Base-Base interactions energy: -176.855
where: short stacking energy: -67.988
Base-Backbone interact. energy: -0.135
local terms energy: -93.353564
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -250.816696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.816696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.816696 (E_RNA)
where:
Base-Base interactions energy: -162.740
where: short stacking energy: -77.577
Base-Backbone interact. energy: -0.192
local terms energy: -87.884481
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -13.702
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: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -230.475623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.475623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.475623 (E_RNA)
where:
Base-Base interactions energy: -153.014
where: short stacking energy: -70.505
Base-Backbone interact. energy: -0.008
local terms energy: -77.454279
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -117.296965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.296965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.296965 (E_RNA)
where:
Base-Base interactions energy: -68.448
where: short stacking energy: -25.691
Base-Backbone interact. energy: -0.804
local terms energy: -48.044819
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: 3.121
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: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -107.271513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.271513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.271513 (E_RNA)
where:
Base-Base interactions energy: -42.288
where: short stacking energy: -20.932
Base-Backbone interact. energy: 0.068
local terms energy: -65.052185
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -95.123823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.123823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.123823 (E_RNA)
where:
Base-Base interactions energy: -33.697
where: short stacking energy: -25.186
Base-Backbone interact. energy: -0.699
local terms energy: -60.728023
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -323.213448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.213448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.213448 (E_RNA)
where:
Base-Base interactions energy: -230.630
where: short stacking energy: -79.671
Base-Backbone interact. energy: 0.952
local terms energy: -93.535946
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -16.192
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: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -301.677973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.677973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.677973 (E_RNA)
where:
Base-Base interactions energy: -200.087
where: short stacking energy: -88.427
Base-Backbone interact. energy: -0.364
local terms energy: -101.226423
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -25.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -277.974843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.974843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.974843 (E_RNA)
where:
Base-Base interactions energy: -187.067
where: short stacking energy: -84.344
Base-Backbone interact. energy: -0.044
local terms energy: -90.863515
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -14.031
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: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -277.843011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.843011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.843011 (E_RNA)
where:
Base-Base interactions energy: -190.440
where: short stacking energy: -75.765
Base-Backbone interact. energy: -0.092
local terms energy: -87.310308
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -268.588354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.588354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.588354 (E_RNA)
where:
Base-Base interactions energy: -185.692
where: short stacking energy: -75.115
Base-Backbone interact. energy: -0.020
local terms energy: -82.876191
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -245.668569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.668569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.668569 (E_RNA)
where:
Base-Base interactions energy: -155.976
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.000
local terms energy: -89.692474
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -232.420585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.420585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.420585 (E_RNA)
where:
Base-Base interactions energy: -148.767
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.102
local terms energy: -83.551638
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -114.419019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.419019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.419019 (E_RNA)
where:
Base-Base interactions energy: -58.856
where: short stacking energy: -34.786
Base-Backbone interact. energy: -0.947
local terms energy: -54.615398
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: 0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -106.066017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.066017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.066017 (E_RNA)
where:
Base-Base interactions energy: -51.419
where: short stacking energy: -22.331
Base-Backbone interact. energy: -0.101
local terms energy: -54.546017
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -85.967249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.967249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.967249 (E_RNA)
where:
Base-Base interactions energy: -25.642
where: short stacking energy: -17.167
Base-Backbone interact. energy: 0.019
local terms energy: -60.343572
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: 0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -310.237062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.237062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.237062 (E_RNA)
where:
Base-Base interactions energy: -222.439
where: short stacking energy: -84.784
Base-Backbone interact. energy: -0.146
local terms energy: -87.651624
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -282.088928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.088928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.088928 (E_RNA)
where:
Base-Base interactions energy: -191.968
where: short stacking energy: -79.479
Base-Backbone interact. energy: -0.190
local terms energy: -89.931122
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -10.866
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: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -283.616189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.616189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.616189 (E_RNA)
where:
Base-Base interactions energy: -189.527
where: short stacking energy: -79.767
Base-Backbone interact. energy: -0.272
local terms energy: -93.816830
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -19.800
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: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -268.370691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.370691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.370691 (E_RNA)
where:
Base-Base interactions energy: -183.419
where: short stacking energy: -76.371
Base-Backbone interact. energy: -0.058
local terms energy: -84.893874
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -22.590
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: 5, replica: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -261.627449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.627449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.627449 (E_RNA)
where:
Base-Base interactions energy: -166.699
where: short stacking energy: -75.033
Base-Backbone interact. energy: -0.001
local terms energy: -94.926777
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -26.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -266.470291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.470291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.470291 (E_RNA)
where:
Base-Base interactions energy: -186.949
where: short stacking energy: -72.308
Base-Backbone interact. energy: -0.340
local terms energy: -79.181963
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -209.080135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.080135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.080135 (E_RNA)
where:
Base-Base interactions energy: -140.693
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.327
local terms energy: -68.060716
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -109.274677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.274677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.274677 (E_RNA)
where:
Base-Base interactions energy: -52.357
where: short stacking energy: -36.788
Base-Backbone interact. energy: -0.186
local terms energy: -56.730916
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -2.326
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: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -89.091965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.091965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.091965 (E_RNA)
where:
Base-Base interactions energy: -25.659
where: short stacking energy: -25.659
Base-Backbone interact. energy: -0.433
local terms energy: -62.999442
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -1.532
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: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -96.271688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.271688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.271688 (E_RNA)
where:
Base-Base interactions energy: -39.374
where: short stacking energy: -39.374
Base-Backbone interact. energy: 0.945
local terms energy: -57.842712
where:
bonds (distance) C4'-P energy: -4.232
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -309.225091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.225091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.225091 (E_RNA)
where:
Base-Base interactions energy: -223.432
where: short stacking energy: -86.344
Base-Backbone interact. energy: -0.281
local terms energy: -85.512271
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -283.526266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.526266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.526266 (E_RNA)
where:
Base-Base interactions energy: -199.724
where: short stacking energy: -78.410
Base-Backbone interact. energy: -0.104
local terms energy: -83.698430
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -286.645117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.645117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.645117 (E_RNA)
where:
Base-Base interactions energy: -191.199
where: short stacking energy: -78.283
Base-Backbone interact. energy: -0.622
local terms energy: -94.824033
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -267.877023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.877023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.877023 (E_RNA)
where:
Base-Base interactions energy: -185.376
where: short stacking energy: -77.928
Base-Backbone interact. energy: -0.070
local terms energy: -82.430902
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -251.346982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.346982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.346982 (E_RNA)
where:
Base-Base interactions energy: -172.661
where: short stacking energy: -80.847
Base-Backbone interact. energy: -0.154
local terms energy: -78.532018
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -10.802
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: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -216.840778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.840778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.840778 (E_RNA)
where:
Base-Base interactions energy: -142.881
where: short stacking energy: -65.419
Base-Backbone interact. energy: 3.143
local terms energy: -77.102157
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -6.876
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: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -237.733491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.733491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.733491 (E_RNA)
where:
Base-Base interactions energy: -155.777
where: short stacking energy: -75.618
Base-Backbone interact. energy: 0.034
local terms energy: -81.990155
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -19.746
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: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -115.043227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.043227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.043227 (E_RNA)
where:
Base-Base interactions energy: -49.536
where: short stacking energy: -32.949
Base-Backbone interact. energy: -0.260
local terms energy: -65.246998
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -5.518
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: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -96.775372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.775372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.775372 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -41.099
Base-Backbone interact. energy: -0.191
local terms energy: -55.484501
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -87.356149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.356149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.356149 (E_RNA)
where:
Base-Base interactions energy: -35.422
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.671
local terms energy: -51.262678
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -312.533696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.533696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.533696 (E_RNA)
where:
Base-Base interactions energy: -228.124
where: short stacking energy: -82.035
Base-Backbone interact. energy: 0.706
local terms energy: -85.116058
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -285.662616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.662616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.662616 (E_RNA)
where:
Base-Base interactions energy: -192.987
where: short stacking energy: -86.664
Base-Backbone interact. energy: -0.270
local terms energy: -92.405496
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -21.900
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -23.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -283.541566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.541566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.541566 (E_RNA)
where:
Base-Base interactions energy: -191.037
where: short stacking energy: -86.606
Base-Backbone interact. energy: -0.001
local terms energy: -92.503864
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -24.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -270.023349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.023349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.023349 (E_RNA)
where:
Base-Base interactions energy: -177.627
where: short stacking energy: -81.829
Base-Backbone interact. energy: -0.077
local terms energy: -92.318519
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -246.159111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.159111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.159111 (E_RNA)
where:
Base-Base interactions energy: -164.141
where: short stacking energy: -76.835
Base-Backbone interact. energy: -0.012
local terms energy: -82.006562
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -11.863
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: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -209.296311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.296311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.296311 (E_RNA)
where:
Base-Base interactions energy: -133.310
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.164
local terms energy: -75.821729
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -236.566162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.566162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.566162 (E_RNA)
where:
Base-Base interactions energy: -150.297
where: short stacking energy: -71.498
Base-Backbone interact. energy: -0.324
local terms energy: -85.945434
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -107.345556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.345556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.345556 (E_RNA)
where:
Base-Base interactions energy: -39.766
where: short stacking energy: -39.191
Base-Backbone interact. energy: -0.008
local terms energy: -67.571911
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -96.901820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.901820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.901820 (E_RNA)
where:
Base-Base interactions energy: -47.596
where: short stacking energy: -25.179
Base-Backbone interact. energy: -0.392
local terms energy: -48.913401
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: 5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -98.127571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.127571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.127571 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -33.480
Base-Backbone interact. energy: -0.084
local terms energy: -62.226607
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -318.961624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.961624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.961624 (E_RNA)
where:
Base-Base interactions energy: -225.430
where: short stacking energy: -79.985
Base-Backbone interact. energy: 2.142
local terms energy: -95.673720
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -292.939396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.939396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.939396 (E_RNA)
where:
Base-Base interactions energy: -199.389
where: short stacking energy: -82.169
Base-Backbone interact. energy: -0.106
local terms energy: -93.444791
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -12.092
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: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -280.258563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.258563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.258563 (E_RNA)
where:
Base-Base interactions energy: -187.487
where: short stacking energy: -80.952
Base-Backbone interact. energy: 0.102
local terms energy: -92.873253
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -26.029
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: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -272.892413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.892413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.892413 (E_RNA)
where:
Base-Base interactions energy: -180.475
where: short stacking energy: -85.340
Base-Backbone interact. energy: -0.113
local terms energy: -92.304392
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -21.851
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: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -271.325569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.325569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.325569 (E_RNA)
where:
Base-Base interactions energy: -184.070
where: short stacking energy: -78.181
Base-Backbone interact. energy: -0.009
local terms energy: -87.246479
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.828
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: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -216.169969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.169969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.169969 (E_RNA)
where:
Base-Base interactions energy: -144.575
where: short stacking energy: -57.726
Base-Backbone interact. energy: -1.411
local terms energy: -70.184472
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -10.092
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: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -223.030146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.030146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.030146 (E_RNA)
where:
Base-Base interactions energy: -138.680
where: short stacking energy: -66.449
Base-Backbone interact. energy: 1.475
local terms energy: -85.825477
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -95.657407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657407 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -33.000
Base-Backbone interact. energy: -0.205
local terms energy: -60.706595
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -98.716564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.716564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.716564 (E_RNA)
where:
Base-Base interactions energy: -38.466
where: short stacking energy: -18.578
Base-Backbone interact. energy: -0.332
local terms energy: -59.918411
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: 1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -94.086404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.086404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.086404 (E_RNA)
where:
Base-Base interactions energy: -26.306
where: short stacking energy: -23.896
Base-Backbone interact. energy: 0.487
local terms energy: -68.267771
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -305.069920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.069920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.069920 (E_RNA)
where:
Base-Base interactions energy: -206.475
where: short stacking energy: -92.963
Base-Backbone interact. energy: -0.666
local terms energy: -97.929061
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -25.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -322.824821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.824821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.824821 (E_RNA)
where:
Base-Base interactions energy: -229.808
where: short stacking energy: -84.907
Base-Backbone interact. energy: 0.077
local terms energy: -93.093950
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -285.759064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.759064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.759064 (E_RNA)
where:
Base-Base interactions energy: -210.331
where: short stacking energy: -87.153
Base-Backbone interact. energy: -0.170
local terms energy: -75.258298
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -25.221
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: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -268.810933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.810933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.810933 (E_RNA)
where:
Base-Base interactions energy: -182.537
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.096
local terms energy: -86.177664
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -254.803484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.803484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.803484 (E_RNA)
where:
Base-Base interactions energy: -169.051
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.025
local terms energy: -85.727381
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -279.250829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.250829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.250829 (E_RNA)
where:
Base-Base interactions energy: -188.682
where: short stacking energy: -79.748
Base-Backbone interact. energy: -0.097
local terms energy: -90.471262
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.514
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: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -214.501592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.501592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.501592 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -54.418
Base-Backbone interact. energy: -0.016
local terms energy: -74.650556
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -15.999
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -102.760238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.760238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.760238 (E_RNA)
where:
Base-Base interactions energy: -45.735
where: short stacking energy: -24.593
Base-Backbone interact. energy: -0.104
local terms energy: -56.921684
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: 2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -91.426827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.426827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.426827 (E_RNA)
where:
Base-Base interactions energy: -27.436
where: short stacking energy: -26.212
Base-Backbone interact. energy: -0.454
local terms energy: -63.536756
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: 1.387
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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -80.576141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.576141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.576141 (E_RNA)
where:
Base-Base interactions energy: -23.611
where: short stacking energy: -16.160
Base-Backbone interact. energy: -0.103
local terms energy: -56.862075
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: 4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -307.553795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.553795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.553795 (E_RNA)
where:
Base-Base interactions energy: -206.163
where: short stacking energy: -88.743
Base-Backbone interact. energy: -0.326
local terms energy: -101.065009
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -15.496
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: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -310.017281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.017281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.017281 (E_RNA)
where:
Base-Base interactions energy: -228.172
where: short stacking energy: -83.522
Base-Backbone interact. energy: 0.667
local terms energy: -82.512278
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -278.322553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.322553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.322553 (E_RNA)
where:
Base-Base interactions energy: -185.400
where: short stacking energy: -79.534
Base-Backbone interact. energy: -0.012
local terms energy: -92.909691
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -24.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -275.691007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.691007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.691007 (E_RNA)
where:
Base-Base interactions energy: -178.339
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.495
local terms energy: -96.857357
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -23.856
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: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -239.495088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.495088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.495088 (E_RNA)
where:
Base-Base interactions energy: -155.584
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.034
local terms energy: -83.877511
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -264.081447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.081447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.081447 (E_RNA)
where:
Base-Base interactions energy: -179.456
where: short stacking energy: -74.557
Base-Backbone interact. energy: -0.043
local terms energy: -84.583314
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -24.286
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: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -204.741195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.741195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.741195 (E_RNA)
where:
Base-Base interactions energy: -126.216
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.217
local terms energy: -78.307822
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -91.381563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.381563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.381563 (E_RNA)
where:
Base-Base interactions energy: -40.907
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.076
local terms energy: -50.398586
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -96.226481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.226481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.226481 (E_RNA)
where:
Base-Base interactions energy: -44.629
where: short stacking energy: -25.790
Base-Backbone interact. energy: 2.633
local terms energy: -54.230440
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -2.128
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: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -85.382122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.382122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.382122 (E_RNA)
where:
Base-Base interactions energy: -21.429
where: short stacking energy: -21.429
Base-Backbone interact. energy: -0.500
local terms energy: -63.453725
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -320.923631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.923631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.923631 (E_RNA)
where:
Base-Base interactions energy: -232.811
where: short stacking energy: -84.683
Base-Backbone interact. energy: 0.699
local terms energy: -88.812246
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -296.751075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.751075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.751075 (E_RNA)
where:
Base-Base interactions energy: -203.094
where: short stacking energy: -86.253
Base-Backbone interact. energy: -0.032
local terms energy: -93.625883
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -26.756
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: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -289.331539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.331539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.331539 (E_RNA)
where:
Base-Base interactions energy: -192.017
where: short stacking energy: -83.516
Base-Backbone interact. energy: -0.898
local terms energy: -96.416272
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -280.765426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.765426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.765426 (E_RNA)
where:
Base-Base interactions energy: -183.706
where: short stacking energy: -81.952
Base-Backbone interact. energy: -0.097
local terms energy: -96.962770
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -27.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -260.294415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.294415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.294415 (E_RNA)
where:
Base-Base interactions energy: -177.138
where: short stacking energy: -80.912
Base-Backbone interact. energy: -0.119
local terms energy: -83.037070
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -242.615613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.615613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.615613 (E_RNA)
where:
Base-Base interactions energy: -162.074
where: short stacking energy: -69.717
Base-Backbone interact. energy: -0.037
local terms energy: -80.504873
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -210.055144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.055144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.055144 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -52.564
Base-Backbone interact. energy: -0.632
local terms energy: -84.052024
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -110.394651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.394651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.394651 (E_RNA)
where:
Base-Base interactions energy: -43.858
where: short stacking energy: -41.012
Base-Backbone interact. energy: -0.159
local terms energy: -66.377720
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -10.425
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: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -106.332771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.332771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.332771 (E_RNA)
where:
Base-Base interactions energy: -40.098
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.076
local terms energy: -66.157843
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -90.004295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.004295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.004295 (E_RNA)
where:
Base-Base interactions energy: -42.174
where: short stacking energy: -29.214
Base-Backbone interact. energy: -0.371
local terms energy: -47.460004
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -2.006
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: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -329.546647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.546647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.546647 (E_RNA)
where:
Base-Base interactions energy: -238.556
where: short stacking energy: -89.440
Base-Backbone interact. energy: 1.538
local terms energy: -92.528757
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -283.652797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.652797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.652797 (E_RNA)
where:
Base-Base interactions energy: -190.370
where: short stacking energy: -81.085
Base-Backbone interact. energy: -0.081
local terms energy: -93.201558
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -24.962
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: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -288.946896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.946896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.946896 (E_RNA)
where:
Base-Base interactions energy: -194.805
where: short stacking energy: -82.495
Base-Backbone interact. energy: -0.027
local terms energy: -94.114168
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -23.224
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: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -278.402358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.402358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.402358 (E_RNA)
where:
Base-Base interactions energy: -179.076
where: short stacking energy: -83.282
Base-Backbone interact. energy: -0.053
local terms energy: -99.272830
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -259.084547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.084547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.084547 (E_RNA)
where:
Base-Base interactions energy: -168.966
where: short stacking energy: -76.403
Base-Backbone interact. energy: -1.307
local terms energy: -88.811426
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -21.172
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: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -245.215408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.215408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.215408 (E_RNA)
where:
Base-Base interactions energy: -171.516
where: short stacking energy: -58.750
Base-Backbone interact. energy: -0.367
local terms energy: -73.332669
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -15.820
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: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -226.025612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.025612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.025612 (E_RNA)
where:
Base-Base interactions energy: -140.540
where: short stacking energy: -65.726
Base-Backbone interact. energy: -0.032
local terms energy: -85.452936
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -25.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -101.329468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.329468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.329468 (E_RNA)
where:
Base-Base interactions energy: -40.196
where: short stacking energy: -39.297
Base-Backbone interact. energy: -0.231
local terms energy: -60.902734
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -10.454
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: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -88.362402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.362402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.362402 (E_RNA)
where:
Base-Base interactions energy: -30.161
where: short stacking energy: -30.161
Base-Backbone interact. energy: 1.211
local terms energy: -59.412735
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -5.411
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: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -91.445388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.445388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.445388 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.168
local terms energy: -57.056022
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -322.153262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.153262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.153262 (E_RNA)
where:
Base-Base interactions energy: -232.217
where: short stacking energy: -90.395
Base-Backbone interact. energy: 0.373
local terms energy: -90.308975
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -23.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -288.538960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.538960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.538960 (E_RNA)
where:
Base-Base interactions energy: -190.517
where: short stacking energy: -86.683
Base-Backbone interact. energy: -0.030
local terms energy: -97.991977
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -30.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -291.682222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.682222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.682222 (E_RNA)
where:
Base-Base interactions energy: -201.046
where: short stacking energy: -85.907
Base-Backbone interact. energy: -0.029
local terms energy: -90.607172
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -286.418789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.418789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.418789 (E_RNA)
where:
Base-Base interactions energy: -196.216
where: short stacking energy: -79.562
Base-Backbone interact. energy: -0.153
local terms energy: -90.049796
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -268.424035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.424035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.424035 (E_RNA)
where:
Base-Base interactions energy: -170.223
where: short stacking energy: -76.556
Base-Backbone interact. energy: -0.084
local terms energy: -98.116609
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -23.763
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: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -240.304376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.304376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.304376 (E_RNA)
where:
Base-Base interactions energy: -163.252
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.235
local terms energy: -76.817829
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -9.225
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: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -212.428265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.428265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.428265 (E_RNA)
where:
Base-Base interactions energy: -137.288
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.616
local terms energy: -74.525033
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -113.335222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.335222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.335222 (E_RNA)
where:
Base-Base interactions energy: -42.214
where: short stacking energy: -40.893
Base-Backbone interact. energy: -0.065
local terms energy: -71.056248
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -86.642587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.642587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.642587 (E_RNA)
where:
Base-Base interactions energy: -30.636
where: short stacking energy: -20.056
Base-Backbone interact. energy: 0.432
local terms energy: -56.439227
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: 1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -104.612466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.612466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.612466 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -33.204
Base-Backbone interact. energy: -0.679
local terms energy: -70.729938
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -313.854683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.854683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.854683 (E_RNA)
where:
Base-Base interactions energy: -231.550
where: short stacking energy: -89.029
Base-Backbone interact. energy: 0.964
local terms energy: -83.268399
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -22.807
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: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -283.291673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.291673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.291673 (E_RNA)
where:
Base-Base interactions energy: -189.012
where: short stacking energy: -83.047
Base-Backbone interact. energy: 0.586
local terms energy: -94.865606
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -30.034
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: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -279.787390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.787390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.787390 (E_RNA)
where:
Base-Base interactions energy: -185.367
where: short stacking energy: -78.999
Base-Backbone interact. energy: -0.217
local terms energy: -94.203862
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -23.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -277.375479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.375479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.375479 (E_RNA)
where:
Base-Base interactions energy: -179.668
where: short stacking energy: -86.729
Base-Backbone interact. energy: -0.028
local terms energy: -97.679643
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -275.916494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.916494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.916494 (E_RNA)
where:
Base-Base interactions energy: -181.681
where: short stacking energy: -84.692
Base-Backbone interact. energy: -0.159
local terms energy: -94.076458
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -24.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -222.149384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.149384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.149384 (E_RNA)
where:
Base-Base interactions energy: -141.161
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.337
local terms energy: -80.650897
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -229.307724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.307724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.307724 (E_RNA)
where:
Base-Base interactions energy: -149.108
where: short stacking energy: -66.185
Base-Backbone interact. energy: 0.893
local terms energy: -81.093002
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -16.244
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: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -92.170770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.170770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.170770 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -22.531
Base-Backbone interact. energy: -0.412
local terms energy: -55.892650
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: 3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -89.833628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.833628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.833628 (E_RNA)
where:
Base-Base interactions energy: -34.623
where: short stacking energy: -30.243
Base-Backbone interact. energy: 0.495
local terms energy: -55.705478
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -83.424829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.424829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.424829 (E_RNA)
where:
Base-Base interactions energy: -18.717
where: short stacking energy: -13.593
Base-Backbone interact. energy: -0.263
local terms energy: -64.444916
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -11.167
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: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -299.521297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.521297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.521297 (E_RNA)
where:
Base-Base interactions energy: -207.079
where: short stacking energy: -90.809
Base-Backbone interact. energy: -0.084
local terms energy: -92.358669
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -318.324505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.324505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.324505 (E_RNA)
where:
Base-Base interactions energy: -237.459
where: short stacking energy: -87.907
Base-Backbone interact. energy: 1.829
local terms energy: -82.694314
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -284.637885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.637885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.637885 (E_RNA)
where:
Base-Base interactions energy: -187.624
where: short stacking energy: -84.488
Base-Backbone interact. energy: -0.121
local terms energy: -96.892800
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -275.739050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.739050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.739050 (E_RNA)
where:
Base-Base interactions energy: -186.563
where: short stacking energy: -82.760
Base-Backbone interact. energy: -0.061
local terms energy: -89.114630
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -275.139172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.139172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.139172 (E_RNA)
where:
Base-Base interactions energy: -186.815
where: short stacking energy: -86.545
Base-Backbone interact. energy: -0.919
local terms energy: -87.404994
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -208.975150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.975150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.975150 (E_RNA)
where:
Base-Base interactions energy: -138.515
where: short stacking energy: -59.239
Base-Backbone interact. energy: 1.346
local terms energy: -71.806453
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -234.835425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.835425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.835425 (E_RNA)
where:
Base-Base interactions energy: -150.807
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.518
local terms energy: -83.510506
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -20.884
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: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -122.010321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.010321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.010321 (E_RNA)
where:
Base-Base interactions energy: -57.673
where: short stacking energy: -26.528
Base-Backbone interact. energy: -0.488
local terms energy: -63.849284
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -94.731085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.731085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.731085 (E_RNA)
where:
Base-Base interactions energy: -33.165
where: short stacking energy: -33.165
Base-Backbone interact. energy: -0.434
local terms energy: -61.132357
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -100.956626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.956626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.956626 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -33.031
Base-Backbone interact. energy: -0.732
local terms energy: -63.382659
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -295.614704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.614704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.614704 (E_RNA)
where:
Base-Base interactions energy: -208.999
where: short stacking energy: -90.013
Base-Backbone interact. energy: -0.003
local terms energy: -86.612726
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -314.151057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.151057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.151057 (E_RNA)
where:
Base-Base interactions energy: -226.751
where: short stacking energy: -86.382
Base-Backbone interact. energy: 0.668
local terms energy: -88.068663
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -21.055
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: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -295.951850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.951850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.951850 (E_RNA)
where:
Base-Base interactions energy: -204.710
where: short stacking energy: -83.614
Base-Backbone interact. energy: -0.145
local terms energy: -91.097190
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -14.351
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: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -275.283834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.283834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.283834 (E_RNA)
where:
Base-Base interactions energy: -182.712
where: short stacking energy: -80.011
Base-Backbone interact. energy: -0.801
local terms energy: -91.770927
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -13.119
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: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -245.043079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.043079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.043079 (E_RNA)
where:
Base-Base interactions energy: -156.663
where: short stacking energy: -80.851
Base-Backbone interact. energy: -0.247
local terms energy: -88.133120
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -248.607737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.607737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.607737 (E_RNA)
where:
Base-Base interactions energy: -164.428
where: short stacking energy: -74.228
Base-Backbone interact. energy: -0.067
local terms energy: -84.112002
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -18.096
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: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -203.569539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.569539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.569539 (E_RNA)
where:
Base-Base interactions energy: -135.489
where: short stacking energy: -52.538
Base-Backbone interact. energy: 0.578
local terms energy: -68.658189
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -108.479971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.479971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.479971 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -43.471
Base-Backbone interact. energy: -0.172
local terms energy: -64.837348
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -8.765
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: 263
Temperature: 1.300000
Total energy: -99.578584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.578584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.578584 (E_RNA)
where:
Base-Base interactions energy: -34.402
where: short stacking energy: -26.553
Base-Backbone interact. energy: -0.141
local terms energy: -65.035725
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -8.263
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: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -92.112933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.112933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.112933 (E_RNA)
where:
Base-Base interactions energy: -33.425
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.201
local terms energy: -58.487379
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -313.587774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.587774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.587774 (E_RNA)
where:
Base-Base interactions energy: -222.974
where: short stacking energy: -87.385
Base-Backbone interact. energy: 0.570
local terms energy: -91.184236
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -16.229
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: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -294.324556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.324556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.324556 (E_RNA)
where:
Base-Base interactions energy: -207.651
where: short stacking energy: -81.780
Base-Backbone interact. energy: -0.066
local terms energy: -86.608267
where:
bonds (distance) C4'-P energy: -7.876
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -24.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -275.416143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.416143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.416143 (E_RNA)
where:
Base-Base interactions energy: -175.370
where: short stacking energy: -82.751
Base-Backbone interact. energy: -0.711
local terms energy: -99.334900
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -15.983
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: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -290.316594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.316594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.316594 (E_RNA)
where:
Base-Base interactions energy: -192.970
where: short stacking energy: -74.172
Base-Backbone interact. energy: -0.132
local terms energy: -97.214678
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -245.152091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.152091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.152091 (E_RNA)
where:
Base-Base interactions energy: -163.002
where: short stacking energy: -73.034
Base-Backbone interact. energy: -0.158
local terms energy: -81.992370
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -13.135
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: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -259.048182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.048182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.048182 (E_RNA)
where:
Base-Base interactions energy: -171.991
where: short stacking energy: -74.712
Base-Backbone interact. energy: -0.180
local terms energy: -86.876984
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -23.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -214.618880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.618880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.618880 (E_RNA)
where:
Base-Base interactions energy: -137.689
where: short stacking energy: -58.153
Base-Backbone interact. energy: -1.073
local terms energy: -75.855964
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -102.657239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.657239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.657239 (E_RNA)
where:
Base-Base interactions energy: -43.807
where: short stacking energy: -35.255
Base-Backbone interact. energy: -0.006
local terms energy: -58.843937
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -97.310809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.310809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.310809 (E_RNA)
where:
Base-Base interactions energy: -38.202
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.234
local terms energy: -58.874838
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -10.051
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: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -88.323518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.323518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.323518 (E_RNA)
where:
Base-Base interactions energy: -34.383
where: short stacking energy: -23.692
Base-Backbone interact. energy: -0.136
local terms energy: -53.805378
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -318.107135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.107135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.107135 (E_RNA)
where:
Base-Base interactions energy: -233.219
where: short stacking energy: -81.909
Base-Backbone interact. energy: 0.984
local terms energy: -85.872290
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -284.304115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.304115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.304115 (E_RNA)
where:
Base-Base interactions energy: -179.174
where: short stacking energy: -84.565
Base-Backbone interact. energy: -0.027
local terms energy: -105.103401
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -27.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -281.010056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.010056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.010056 (E_RNA)
where:
Base-Base interactions energy: -191.294
where: short stacking energy: -95.369
Base-Backbone interact. energy: -0.001
local terms energy: -89.715582
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -28.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -277.048095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.048095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.048095 (E_RNA)
where:
Base-Base interactions energy: -188.052
where: short stacking energy: -82.850
Base-Backbone interact. energy: -0.396
local terms energy: -88.599595
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -25.478
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: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -242.174934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.174934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.174934 (E_RNA)
where:
Base-Base interactions energy: -161.107
where: short stacking energy: -66.867
Base-Backbone interact. energy: -0.747
local terms energy: -80.321539
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -16.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -222.745691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.745691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.745691 (E_RNA)
where:
Base-Base interactions energy: -145.585
where: short stacking energy: -65.892
Base-Backbone interact. energy: -0.357
local terms energy: -76.803815
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.996
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: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -220.970289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.970289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.970289 (E_RNA)
where:
Base-Base interactions energy: -141.305
where: short stacking energy: -58.540
Base-Backbone interact. energy: 0.123
local terms energy: -79.787987
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -13.251
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: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -98.988974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.988974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.988974 (E_RNA)
where:
Base-Base interactions energy: -40.964
where: short stacking energy: -40.296
Base-Backbone interact. energy: -0.204
local terms energy: -57.820404
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: 0.298
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -85.196834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.196834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.196834 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.026
local terms energy: -56.617989
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: 2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -90.314217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.314217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.314217 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -35.320
Base-Backbone interact. energy: 0.554
local terms energy: -55.548253
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -320.823717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.823717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.823717 (E_RNA)
where:
Base-Base interactions energy: -223.623
where: short stacking energy: -78.746
Base-Backbone interact. energy: 1.135
local terms energy: -98.335656
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -24.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -286.237395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.237395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.237395 (E_RNA)
where:
Base-Base interactions energy: -193.398
where: short stacking energy: -75.224
Base-Backbone interact. energy: -0.380
local terms energy: -92.459091
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -16.026
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: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -285.536905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.536905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.536905 (E_RNA)
where:
Base-Base interactions energy: -193.632
where: short stacking energy: -70.919
Base-Backbone interact. energy: -0.009
local terms energy: -91.895690
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -22.201
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: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -262.113764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.113764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.113764 (E_RNA)
where:
Base-Base interactions energy: -171.626
where: short stacking energy: -68.541
Base-Backbone interact. energy: -0.049
local terms energy: -90.438778
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -19.628
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: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -252.617145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.617145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.617145 (E_RNA)
where:
Base-Base interactions energy: -169.978
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.007
local terms energy: -82.632249
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -13.311
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: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -226.476643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.476643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.476643 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -65.010
Base-Backbone interact. energy: -0.008
local terms energy: -89.101377
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -21.966
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: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -235.590336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.590336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.590336 (E_RNA)
where:
Base-Base interactions energy: -163.086
where: short stacking energy: -65.538
Base-Backbone interact. energy: -0.195
local terms energy: -72.309045
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -88.420206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.420206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.420206 (E_RNA)
where:
Base-Base interactions energy: -27.922
where: short stacking energy: -28.022
Base-Backbone interact. energy: 1.470
local terms energy: -61.968346
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -6.741
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: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -110.011052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.011052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.011052 (E_RNA)
where:
Base-Base interactions energy: -39.889
where: short stacking energy: -35.438
Base-Backbone interact. energy: -0.002
local terms energy: -70.119480
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -14.101
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: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -108.679616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.679616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.679616 (E_RNA)
where:
Base-Base interactions energy: -62.891
where: short stacking energy: -37.599
Base-Backbone interact. energy: -0.439
local terms energy: -45.349824
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -320.286601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.286601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.286601 (E_RNA)
where:
Base-Base interactions energy: -232.983
where: short stacking energy: -88.001
Base-Backbone interact. energy: 1.047
local terms energy: -88.350336
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -284.937494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.937494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.937494 (E_RNA)
where:
Base-Base interactions energy: -190.725
where: short stacking energy: -82.728
Base-Backbone interact. energy: -0.057
local terms energy: -94.155615
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -26.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -271.844320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.844320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.844320 (E_RNA)
where:
Base-Base interactions energy: -176.307
where: short stacking energy: -66.618
Base-Backbone interact. energy: -0.131
local terms energy: -95.406953
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -261.821425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.821425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.821425 (E_RNA)
where:
Base-Base interactions energy: -174.175
where: short stacking energy: -76.140
Base-Backbone interact. energy: -0.074
local terms energy: -87.572675
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -23.713
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: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -245.263039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.263039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.263039 (E_RNA)
where:
Base-Base interactions energy: -164.876
where: short stacking energy: -71.213
Base-Backbone interact. energy: 1.132
local terms energy: -81.518800
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -15.249
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: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -231.767055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.767055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.767055 (E_RNA)
where:
Base-Base interactions energy: -153.135
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.248
local terms energy: -78.383485
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -218.952550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.952550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.952550 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -69.582
Base-Backbone interact. energy: -0.028
local terms energy: -79.701356
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -20.145
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: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -100.299878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.299878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.299878 (E_RNA)
where:
Base-Base interactions energy: -41.335
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.162
local terms energy: -58.802871
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -89.647757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.647757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.647757 (E_RNA)
where:
Base-Base interactions energy: -37.964
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.208
local terms energy: -51.475461
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -9.425
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -8.552
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: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -105.570122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.570122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.570122 (E_RNA)
where:
Base-Base interactions energy: -50.726
where: short stacking energy: -29.832
Base-Backbone interact. energy: 0.034
local terms energy: -54.878700
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -1.589
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: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -309.836158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.836158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.836158 (E_RNA)
where:
Base-Base interactions energy: -222.806
where: short stacking energy: -80.677
Base-Backbone interact. energy: 0.017
local terms energy: -87.046704
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -291.396773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.396773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.396773 (E_RNA)
where:
Base-Base interactions energy: -197.973
where: short stacking energy: -84.439
Base-Backbone interact. energy: -0.090
local terms energy: -93.334120
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -277.352800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.352800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.352800 (E_RNA)
where:
Base-Base interactions energy: -195.144
where: short stacking energy: -78.025
Base-Backbone interact. energy: 0.781
local terms energy: -82.990311
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -14.114
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: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -271.397589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.397589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.397589 (E_RNA)
where:
Base-Base interactions energy: -188.391
where: short stacking energy: -82.572
Base-Backbone interact. energy: -0.502
local terms energy: -82.504415
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -23.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -261.788888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.788888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.788888 (E_RNA)
where:
Base-Base interactions energy: -166.294
where: short stacking energy: -83.999
Base-Backbone interact. energy: -0.079
local terms energy: -95.416249
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -11.611
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: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -232.424169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.424169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.424169 (E_RNA)
where:
Base-Base interactions energy: -154.348
where: short stacking energy: -67.615
Base-Backbone interact. energy: -0.119
local terms energy: -77.957089
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -11.208
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: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -207.929748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.929748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.929748 (E_RNA)
where:
Base-Base interactions energy: -134.405
where: short stacking energy: -62.073
Base-Backbone interact. energy: 0.217
local terms energy: -73.741637
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -14.331
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: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -89.231583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.231583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.231583 (E_RNA)
where:
Base-Base interactions energy: -28.824
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.200
local terms energy: -60.207024
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -90.981984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.981984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.981984 (E_RNA)
where:
Base-Base interactions energy: -37.850
where: short stacking energy: -25.367
Base-Backbone interact. energy: -1.098
local terms energy: -52.033833
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -3.460
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: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -95.556652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.556652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.556652 (E_RNA)
where:
Base-Base interactions energy: -31.442
where: short stacking energy: -31.442
Base-Backbone interact. energy: -0.046
local terms energy: -64.068941
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -321.847271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.847271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.847271 (E_RNA)
where:
Base-Base interactions energy: -232.249
where: short stacking energy: -90.189
Base-Backbone interact. energy: 0.188
local terms energy: -89.786425
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -297.955044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.955044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.955044 (E_RNA)
where:
Base-Base interactions energy: -198.275
where: short stacking energy: -83.061
Base-Backbone interact. energy: -0.335
local terms energy: -99.345106
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -273.021276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.021276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.021276 (E_RNA)
where:
Base-Base interactions energy: -176.464
where: short stacking energy: -85.985
Base-Backbone interact. energy: -0.036
local terms energy: -96.520614
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -26.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -277.157614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.157614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.157614 (E_RNA)
where:
Base-Base interactions energy: -182.246
where: short stacking energy: -80.281
Base-Backbone interact. energy: -0.101
local terms energy: -94.810083
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -25.440
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: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -271.562107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.562107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.562107 (E_RNA)
where:
Base-Base interactions energy: -170.372
where: short stacking energy: -75.518
Base-Backbone interact. energy: -0.051
local terms energy: -101.138665
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -25.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -229.303926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.303926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.303926 (E_RNA)
where:
Base-Base interactions energy: -157.238
where: short stacking energy: -62.207
Base-Backbone interact. energy: 0.762
local terms energy: -72.827910
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -247.463849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.463849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.463849 (E_RNA)
where:
Base-Base interactions energy: -163.844
where: short stacking energy: -62.598
Base-Backbone interact. energy: -0.103
local terms energy: -83.516694
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -108.116773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.116773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.116773 (E_RNA)
where:
Base-Base interactions energy: -50.108
where: short stacking energy: -35.545
Base-Backbone interact. energy: -0.241
local terms energy: -57.768223
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -100.189148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.189148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.189148 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -37.872
Base-Backbone interact. energy: -0.944
local terms energy: -61.304594
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -95.378869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.378869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.378869 (E_RNA)
where:
Base-Base interactions energy: -44.331
where: short stacking energy: -39.253
Base-Backbone interact. energy: 0.716
local terms energy: -51.764146
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -322.997501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.997501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.997501 (E_RNA)
where:
Base-Base interactions energy: -228.663
where: short stacking energy: -82.073
Base-Backbone interact. energy: -0.193
local terms energy: -94.141505
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -11.369
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: 5
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -294.154489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.154489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.154489 (E_RNA)
where:
Base-Base interactions energy: -198.280
where: short stacking energy: -86.891
Base-Backbone interact. energy: -0.020
local terms energy: -95.854549
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -28.332
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: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -277.769253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.769253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.769253 (E_RNA)
where:
Base-Base interactions energy: -190.834
where: short stacking energy: -79.501
Base-Backbone interact. energy: -0.144
local terms energy: -86.790823
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -22.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -266.168001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.168001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.168001 (E_RNA)
where:
Base-Base interactions energy: -176.389
where: short stacking energy: -76.218
Base-Backbone interact. energy: -0.070
local terms energy: -89.709521
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -272.392815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.392815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.392815 (E_RNA)
where:
Base-Base interactions energy: -189.185
where: short stacking energy: -80.502
Base-Backbone interact. energy: 0.461
local terms energy: -83.668884
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -7.764
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: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -225.129014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.129014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.129014 (E_RNA)
where:
Base-Base interactions energy: -143.216
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.078
local terms energy: -81.834789
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -229.108537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.108537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.108537 (E_RNA)
where:
Base-Base interactions energy: -152.713
where: short stacking energy: -72.944
Base-Backbone interact. energy: -0.034
local terms energy: -76.361514
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -105.586522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.586522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.586522 (E_RNA)
where:
Base-Base interactions energy: -45.060
where: short stacking energy: -44.157
Base-Backbone interact. energy: -0.659
local terms energy: -59.867720
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -95.544234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.544234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.544234 (E_RNA)
where:
Base-Base interactions energy: -36.559
where: short stacking energy: -28.546
Base-Backbone interact. energy: 0.876
local terms energy: -59.861312
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -5.865
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: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -85.409132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.409132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.409132 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -29.073
Base-Backbone interact. energy: 1.575
local terms energy: -56.440583
where:
bonds (distance) C4'-P energy: -7.434
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -321.596426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.596426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.596426 (E_RNA)
where:
Base-Base interactions energy: -226.867
where: short stacking energy: -76.696
Base-Backbone interact. energy: 0.914
local terms energy: -95.643325
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -23.868
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: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -286.910072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.910072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.910072 (E_RNA)
where:
Base-Base interactions energy: -191.018
where: short stacking energy: -84.885
Base-Backbone interact. energy: -0.749
local terms energy: -95.143071
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -26.537
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: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -286.775876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.775876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.775876 (E_RNA)
where:
Base-Base interactions energy: -190.462
where: short stacking energy: -82.985
Base-Backbone interact. energy: -0.049
local terms energy: -96.265122
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -277.941637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.941637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.941637 (E_RNA)
where:
Base-Base interactions energy: -187.477
where: short stacking energy: -82.319
Base-Backbone interact. energy: -0.015
local terms energy: -90.449536
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -14.509
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: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -277.391747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.391747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.391747 (E_RNA)
where:
Base-Base interactions energy: -187.649
where: short stacking energy: -84.958
Base-Backbone interact. energy: -0.077
local terms energy: -89.665447
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -235.159867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.159867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.159867 (E_RNA)
where:
Base-Base interactions energy: -154.003
where: short stacking energy: -72.546
Base-Backbone interact. energy: -0.160
local terms energy: -80.996725
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -204.250912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.250912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.250912 (E_RNA)
where:
Base-Base interactions energy: -129.104
where: short stacking energy: -61.617
Base-Backbone interact. energy: 0.709
local terms energy: -75.856189
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -88.743675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.743675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.743675 (E_RNA)
where:
Base-Base interactions energy: -36.539
where: short stacking energy: -34.152
Base-Backbone interact. energy: -0.378
local terms energy: -51.826763
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -2.102
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: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -100.567528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.567528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.567528 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -28.441
Base-Backbone interact. energy: -1.420
local terms energy: -62.493432
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -81.776898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776898 (E_RNA)
where:
Base-Base interactions energy: -24.856
where: short stacking energy: -24.475
Base-Backbone interact. energy: -0.186
local terms energy: -56.734382
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -319.720524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.720524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.720524 (E_RNA)
where:
Base-Base interactions energy: -234.741
where: short stacking energy: -82.907
Base-Backbone interact. energy: -0.321
local terms energy: -84.658330
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -291.412796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.412796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.412796 (E_RNA)
where:
Base-Base interactions energy: -192.095
where: short stacking energy: -81.290
Base-Backbone interact. energy: -0.081
local terms energy: -99.236342
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -26.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -288.169887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.169887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.169887 (E_RNA)
where:
Base-Base interactions energy: -197.998
where: short stacking energy: -83.936
Base-Backbone interact. energy: -0.718
local terms energy: -89.453493
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -25.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -282.424916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.424916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.424916 (E_RNA)
where:
Base-Base interactions energy: -189.741
where: short stacking energy: -72.638
Base-Backbone interact. energy: 0.377
local terms energy: -93.061174
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -276.016086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.016086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.016086 (E_RNA)
where:
Base-Base interactions energy: -188.490
where: short stacking energy: -73.105
Base-Backbone interact. energy: -0.103
local terms energy: -87.422485
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -22.026
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: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -241.533935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.533935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.533935 (E_RNA)
where:
Base-Base interactions energy: -156.141
where: short stacking energy: -73.049
Base-Backbone interact. energy: 0.454
local terms energy: -85.847007
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -213.212619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.212619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.212619 (E_RNA)
where:
Base-Base interactions energy: -135.262
where: short stacking energy: -57.855
Base-Backbone interact. energy: -0.037
local terms energy: -77.914061
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -12.870
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: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -105.712348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.712348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.712348 (E_RNA)
where:
Base-Base interactions energy: -46.478
where: short stacking energy: -41.508
Base-Backbone interact. energy: 0.159
local terms energy: -59.393762
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -88.610426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.610426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.610426 (E_RNA)
where:
Base-Base interactions energy: -33.024
where: short stacking energy: -27.189
Base-Backbone interact. energy: -1.227
local terms energy: -54.360263
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -5.404
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: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -89.310083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.310083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.310083 (E_RNA)
where:
Base-Base interactions energy: -30.503
where: short stacking energy: -16.124
Base-Backbone interact. energy: -0.448
local terms energy: -58.359391
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -316.398372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.398372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.398372 (E_RNA)
where:
Base-Base interactions energy: -227.691
where: short stacking energy: -89.622
Base-Backbone interact. energy: 3.852
local terms energy: -92.558739
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -22.096
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: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -290.651169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.651169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.651169 (E_RNA)
where:
Base-Base interactions energy: -195.478
where: short stacking energy: -91.866
Base-Backbone interact. energy: -0.038
local terms energy: -95.135607
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -11.006
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: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -281.088173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.088173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.088173 (E_RNA)
where:
Base-Base interactions energy: -186.716
where: short stacking energy: -84.608
Base-Backbone interact. energy: -0.096
local terms energy: -94.276272
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -25.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -287.284379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.284379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.284379 (E_RNA)
where:
Base-Base interactions energy: -196.441
where: short stacking energy: -80.761
Base-Backbone interact. energy: -0.212
local terms energy: -90.631389
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -11.907
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: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -263.279040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.279040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.279040 (E_RNA)
where:
Base-Base interactions energy: -180.051
where: short stacking energy: -81.741
Base-Backbone interact. energy: -0.040
local terms energy: -83.187512
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -210.798631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.798631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.798631 (E_RNA)
where:
Base-Base interactions energy: -129.706
where: short stacking energy: -65.546
Base-Backbone interact. energy: -0.789
local terms energy: -80.303034
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -6.929
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: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -246.711693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.711693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.711693 (E_RNA)
where:
Base-Base interactions energy: -166.288
where: short stacking energy: -68.383
Base-Backbone interact. energy: -0.797
local terms energy: -79.626617
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -8.829
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: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -94.962548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.962548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.962548 (E_RNA)
where:
Base-Base interactions energy: -38.179
where: short stacking energy: -31.112
Base-Backbone interact. energy: -0.496
local terms energy: -56.287691
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: 1.357
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: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -86.004444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.004444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.004444 (E_RNA)
where:
Base-Base interactions energy: -25.715
where: short stacking energy: -20.943
Base-Backbone interact. energy: -0.220
local terms energy: -60.069826
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -7.965
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: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -98.918071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.918071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.918071 (E_RNA)
where:
Base-Base interactions energy: -41.460
where: short stacking energy: -25.439
Base-Backbone interact. energy: -0.111
local terms energy: -57.346954
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -4.019
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: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -318.511937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.511937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.511937 (E_RNA)
where:
Base-Base interactions energy: -233.175
where: short stacking energy: -88.655
Base-Backbone interact. energy: 3.759
local terms energy: -89.095577
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -14.204
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: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -285.770500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.770500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.770500 (E_RNA)
where:
Base-Base interactions energy: -189.576
where: short stacking energy: -82.241
Base-Backbone interact. energy: -0.533
local terms energy: -95.661799
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -23.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -282.089718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.089718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.089718 (E_RNA)
where:
Base-Base interactions energy: -193.248
where: short stacking energy: -82.264
Base-Backbone interact. energy: -0.069
local terms energy: -88.772555
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -272.431360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.431360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.431360 (E_RNA)
where:
Base-Base interactions energy: -184.871
where: short stacking energy: -80.910
Base-Backbone interact. energy: 0.483
local terms energy: -88.043804
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -273.889980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.889980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.889980 (E_RNA)
where:
Base-Base interactions energy: -182.151
where: short stacking energy: -81.012
Base-Backbone interact. energy: 1.706
local terms energy: -93.444941
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -26.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -216.811852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.811852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.811852 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -65.077
Base-Backbone interact. energy: -0.184
local terms energy: -74.925824
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -16.574
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: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -221.969270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.969270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.969270 (E_RNA)
where:
Base-Base interactions energy: -141.932
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.593
local terms energy: -79.444218
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -8.634
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: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -104.868551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.868551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.868551 (E_RNA)
where:
Base-Base interactions energy: -42.572
where: short stacking energy: -31.155
Base-Backbone interact. energy: -1.354
local terms energy: -60.942931
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -97.631348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.631348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.631348 (E_RNA)
where:
Base-Base interactions energy: -48.529
where: short stacking energy: -26.600
Base-Backbone interact. energy: -0.166
local terms energy: -48.935544
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -83.366707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.366707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.366707 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -21.167
Base-Backbone interact. energy: -0.159
local terms energy: -53.791247
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: 0.980
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: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -323.737625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.737625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.737625 (E_RNA)
where:
Base-Base interactions energy: -237.374
where: short stacking energy: -84.745
Base-Backbone interact. energy: 1.154
local terms energy: -87.517743
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -283.452040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.452040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.452040 (E_RNA)
where:
Base-Base interactions energy: -190.030
where: short stacking energy: -86.010
Base-Backbone interact. energy: -0.064
local terms energy: -93.358086
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -15.775
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: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -284.450393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.450393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.450393 (E_RNA)
where:
Base-Base interactions energy: -196.785
where: short stacking energy: -84.967
Base-Backbone interact. energy: -0.121
local terms energy: -87.544406
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -24.800
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: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -257.855746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.855746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.855746 (E_RNA)
where:
Base-Base interactions energy: -166.785
where: short stacking energy: -91.176
Base-Backbone interact. energy: -0.243
local terms energy: -90.827786
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -263.939447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.939447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.939447 (E_RNA)
where:
Base-Base interactions energy: -178.636
where: short stacking energy: -80.711
Base-Backbone interact. energy: -0.068
local terms energy: -85.235450
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -22.067
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: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -255.479436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.479436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.479436 (E_RNA)
where:
Base-Base interactions energy: -164.864
where: short stacking energy: -79.481
Base-Backbone interact. energy: -0.086
local terms energy: -90.529864
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -214.634050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.634050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.634050 (E_RNA)
where:
Base-Base interactions energy: -142.923
where: short stacking energy: -52.407
Base-Backbone interact. energy: -0.030
local terms energy: -71.681041
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -9.719
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: 275
Temperature: 1.250000
Total energy: -113.106133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.106133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.106133 (E_RNA)
where:
Base-Base interactions energy: -45.518
where: short stacking energy: -45.518
Base-Backbone interact. energy: 0.335
local terms energy: -67.923098
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -100.257853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.257853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.257853 (E_RNA)
where:
Base-Base interactions energy: -35.492
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.458
local terms energy: -64.307829
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -6.297
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -9.610
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: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -81.220952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.220952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.220952 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -26.898
Base-Backbone interact. energy: -0.258
local terms energy: -50.179466
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: 4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -325.336117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.336117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.336117 (E_RNA)
where:
Base-Base interactions energy: -241.202
where: short stacking energy: -90.936
Base-Backbone interact. energy: 2.913
local terms energy: -87.047421
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -24.185
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -287.825908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.825908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.825908 (E_RNA)
where:
Base-Base interactions energy: -190.838
where: short stacking energy: -89.288
Base-Backbone interact. energy: -0.020
local terms energy: -96.967842
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -14.755
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: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -282.442699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.442699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.442699 (E_RNA)
where:
Base-Base interactions energy: -184.532
where: short stacking energy: -71.934
Base-Backbone interact. energy: -0.414
local terms energy: -97.496821
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -262.764399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.764399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.764399 (E_RNA)
where:
Base-Base interactions energy: -177.590
where: short stacking energy: -81.378
Base-Backbone interact. energy: -0.139
local terms energy: -85.035438
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -12.911
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: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -269.820059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.820059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.820059 (E_RNA)
where:
Base-Base interactions energy: -172.870
where: short stacking energy: -80.407
Base-Backbone interact. energy: -0.036
local terms energy: -96.913825
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -259.608427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.608427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.608427 (E_RNA)
where:
Base-Base interactions energy: -182.970
where: short stacking energy: -85.569
Base-Backbone interact. energy: 0.284
local terms energy: -76.923129
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -215.829974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.829974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.829974 (E_RNA)
where:
Base-Base interactions energy: -141.447
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.117
local terms energy: -74.265551
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -103.378162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.378162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.378162 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -31.782
Base-Backbone interact. energy: 1.995
local terms energy: -73.575181
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -96.992504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.992504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.992504 (E_RNA)
where:
Base-Base interactions energy: -44.557
where: short stacking energy: -28.948
Base-Backbone interact. energy: -0.889
local terms energy: -51.546684
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -106.671101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.671101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.671101 (E_RNA)
where:
Base-Base interactions energy: -49.712
where: short stacking energy: -24.978
Base-Backbone interact. energy: -0.820
local terms energy: -56.139661
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.637
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: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -316.126849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.126849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.126849 (E_RNA)
where:
Base-Base interactions energy: -228.670
where: short stacking energy: -83.026
Base-Backbone interact. energy: 2.332
local terms energy: -89.789158
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -23.158
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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -291.211504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.211504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.211504 (E_RNA)
where:
Base-Base interactions energy: -198.643
where: short stacking energy: -83.422
Base-Backbone interact. energy: -0.007
local terms energy: -92.561939
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -271.794625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.794625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.794625 (E_RNA)
where:
Base-Base interactions energy: -183.117
where: short stacking energy: -76.790
Base-Backbone interact. energy: -0.228
local terms energy: -88.449813
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -13.062
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: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -276.146294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.146294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.146294 (E_RNA)
where:
Base-Base interactions energy: -177.737
where: short stacking energy: -78.821
Base-Backbone interact. energy: -0.466
local terms energy: -97.942643
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -263.778775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.778775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.778775 (E_RNA)
where:
Base-Base interactions energy: -182.198
where: short stacking energy: -83.741
Base-Backbone interact. energy: -0.014
local terms energy: -81.566409
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -24.844
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: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -211.240976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.240976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.240976 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.447
local terms energy: -72.877833
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -15.345
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: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -226.504481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.504481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.504481 (E_RNA)
where:
Base-Base interactions energy: -152.132
where: short stacking energy: -68.517
Base-Backbone interact. energy: 0.074
local terms energy: -74.446739
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -103.087337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.087337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.087337 (E_RNA)
where:
Base-Base interactions energy: -31.532
where: short stacking energy: -29.028
Base-Backbone interact. energy: -0.353
local terms energy: -71.202378
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -96.806851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.806851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.806851 (E_RNA)
where:
Base-Base interactions energy: -31.680
where: short stacking energy: -29.134
Base-Backbone interact. energy: -0.149
local terms energy: -64.977317
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.731
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: 277
Temperature: 1.350000
Total energy: -88.212881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.212881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.212881 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -25.857
Base-Backbone interact. energy: 0.215
local terms energy: -54.591830
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: 0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -320.002226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.002226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.002226 (E_RNA)
where:
Base-Base interactions energy: -230.243
where: short stacking energy: -80.775
Base-Backbone interact. energy: 0.643
local terms energy: -90.402660
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -13.251
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: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -301.912450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.912450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.912450 (E_RNA)
where:
Base-Base interactions energy: -209.239
where: short stacking energy: -90.133
Base-Backbone interact. energy: -0.079
local terms energy: -92.594779
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -271.746357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.746357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.746357 (E_RNA)
where:
Base-Base interactions energy: -177.190
where: short stacking energy: -72.871
Base-Backbone interact. energy: -0.102
local terms energy: -94.454002
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -27.208
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: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -258.786281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.786281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.786281 (E_RNA)
where:
Base-Base interactions energy: -176.145
where: short stacking energy: -73.918
Base-Backbone interact. energy: -0.619
local terms energy: -82.022691
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -228.791518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.791518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.791518 (E_RNA)
where:
Base-Base interactions energy: -157.971
where: short stacking energy: -77.958
Base-Backbone interact. energy: 1.400
local terms energy: -72.220986
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -265.126106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.126106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.126106 (E_RNA)
where:
Base-Base interactions energy: -178.019
where: short stacking energy: -78.187
Base-Backbone interact. energy: -0.093
local terms energy: -87.014005
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -25.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -236.083748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.083748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.083748 (E_RNA)
where:
Base-Base interactions energy: -161.547
where: short stacking energy: -68.652
Base-Backbone interact. energy: -0.108
local terms energy: -74.429022
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -104.942114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.942114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.942114 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -32.428
Base-Backbone interact. energy: -0.261
local terms energy: -68.395967
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -115.602210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.602210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.602210 (E_RNA)
where:
Base-Base interactions energy: -57.084
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.093
local terms energy: -58.424960
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -6.942
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: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -89.458576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.458576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.458576 (E_RNA)
where:
Base-Base interactions energy: -39.904
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.942
local terms energy: -48.612574
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -317.094190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.094190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.094190 (E_RNA)
where:
Base-Base interactions energy: -215.691
where: short stacking energy: -85.065
Base-Backbone interact. energy: 0.124
local terms energy: -101.527454
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -22.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -288.596310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.596310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.596310 (E_RNA)
where:
Base-Base interactions energy: -192.587
where: short stacking energy: -84.494
Base-Backbone interact. energy: -0.212
local terms energy: -95.797073
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -11.678
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: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -287.376931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.376931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.376931 (E_RNA)
where:
Base-Base interactions energy: -187.368
where: short stacking energy: -82.051
Base-Backbone interact. energy: -0.078
local terms energy: -99.930929
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -260.084878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.084878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.084878 (E_RNA)
where:
Base-Base interactions energy: -180.047
where: short stacking energy: -76.463
Base-Backbone interact. energy: -1.385
local terms energy: -78.653140
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -226.522572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.522572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.522572 (E_RNA)
where:
Base-Base interactions energy: -148.131
where: short stacking energy: -71.790
Base-Backbone interact. energy: -0.032
local terms energy: -78.359677
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -248.902988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.902988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.902988 (E_RNA)
where:
Base-Base interactions energy: -167.965
where: short stacking energy: -73.428
Base-Backbone interact. energy: -0.234
local terms energy: -80.703809
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -21.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -228.440889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.440889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.440889 (E_RNA)
where:
Base-Base interactions energy: -156.385
where: short stacking energy: -55.300
Base-Backbone interact. energy: -0.175
local terms energy: -71.881452
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -185.967787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.967787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.967787 (E_RNA)
where:
Base-Base interactions energy: -112.491
where: short stacking energy: -50.462
Base-Backbone interact. energy: -0.338
local terms energy: -73.139101
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -101.488244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.488244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.488244 (E_RNA)
where:
Base-Base interactions energy: -48.698
where: short stacking energy: -26.498
Base-Backbone interact. energy: -0.373
local terms energy: -52.417813
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: 4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -86.316271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.316271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.316271 (E_RNA)
where:
Base-Base interactions energy: -36.248
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.275
local terms energy: -49.792833
where:
bonds (distance) C4'-P energy: -3.742
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -8.982
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: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -313.411632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.411632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.411632 (E_RNA)
where:
Base-Base interactions energy: -226.789
where: short stacking energy: -80.034
Base-Backbone interact. energy: 0.710
local terms energy: -87.332691
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -23.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -290.023240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.023240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.023240 (E_RNA)
where:
Base-Base interactions energy: -188.732
where: short stacking energy: -84.174
Base-Backbone interact. energy: -0.098
local terms energy: -101.192890
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -13.327
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: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -290.007160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.007160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.007160 (E_RNA)
where:
Base-Base interactions energy: -204.153
where: short stacking energy: -89.783
Base-Backbone interact. energy: -0.108
local terms energy: -85.746491
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -9.936
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: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -262.822355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.822355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.822355 (E_RNA)
where:
Base-Base interactions energy: -178.872
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.270
local terms energy: -83.680867
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -235.032184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.032184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.032184 (E_RNA)
where:
Base-Base interactions energy: -161.599
where: short stacking energy: -69.835
Base-Backbone interact. energy: -0.588
local terms energy: -72.844518
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -209.801854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.801854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.801854 (E_RNA)
where:
Base-Base interactions energy: -142.130
where: short stacking energy: -68.032
Base-Backbone interact. energy: -0.165
local terms energy: -67.506607
where:
bonds (distance) C4'-P energy: -8.416
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -239.187379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.187379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.187379 (E_RNA)
where:
Base-Base interactions energy: -163.946
where: short stacking energy: -62.599
Base-Backbone interact. energy: -0.013
local terms energy: -75.228179
where:
bonds (distance) C4'-P energy: -4.370
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -11.670
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: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -224.761907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.761907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.761907 (E_RNA)
where:
Base-Base interactions energy: -146.617
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.077
local terms energy: -78.066998
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -91.503708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.503708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.503708 (E_RNA)
where:
Base-Base interactions energy: -27.922
where: short stacking energy: -27.922
Base-Backbone interact. energy: -0.176
local terms energy: -63.405903
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -1.717
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -98.720394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.720394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.720394 (E_RNA)
where:
Base-Base interactions energy: -43.310
where: short stacking energy: -32.769
Base-Backbone interact. energy: -0.266
local terms energy: -55.144924
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -317.838246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.838246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.838246 (E_RNA)
where:
Base-Base interactions energy: -223.270
where: short stacking energy: -83.673
Base-Backbone interact. energy: -0.189
local terms energy: -94.379850
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -21.341
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: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -278.822102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.822102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.822102 (E_RNA)
where:
Base-Base interactions energy: -193.101
where: short stacking energy: -78.700
Base-Backbone interact. energy: 0.300
local terms energy: -86.020317
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -284.615904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.615904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.615904 (E_RNA)
where:
Base-Base interactions energy: -191.092
where: short stacking energy: -80.296
Base-Backbone interact. energy: -0.227
local terms energy: -93.297112
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -265.205050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.205050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.205050 (E_RNA)
where:
Base-Base interactions energy: -176.073
where: short stacking energy: -75.281
Base-Backbone interact. energy: -0.240
local terms energy: -88.891644
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -269.659364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.659364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.659364 (E_RNA)
where:
Base-Base interactions energy: -183.481
where: short stacking energy: -73.636
Base-Backbone interact. energy: -0.127
local terms energy: -86.051350
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -22.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -240.158451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.158451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.158451 (E_RNA)
where:
Base-Base interactions energy: -153.442
where: short stacking energy: -61.014
Base-Backbone interact. energy: -0.263
local terms energy: -86.453452
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -14.661
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: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -228.517498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.517498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.517498 (E_RNA)
where:
Base-Base interactions energy: -148.578
where: short stacking energy: -72.216
Base-Backbone interact. energy: -0.329
local terms energy: -79.610431
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -223.832709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.832709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.832709 (E_RNA)
where:
Base-Base interactions energy: -148.800
where: short stacking energy: -56.571
Base-Backbone interact. energy: 0.081
local terms energy: -75.112915
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -89.446668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.446668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.446668 (E_RNA)
where:
Base-Base interactions energy: -36.779
where: short stacking energy: -36.457
Base-Backbone interact. energy: -0.232
local terms energy: -52.436265
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -90.171159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.171159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.171159 (E_RNA)
where:
Base-Base interactions energy: -34.249
where: short stacking energy: -33.779
Base-Backbone interact. energy: -0.200
local terms energy: -55.722041
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -312.391400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.391400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.391400 (E_RNA)
where:
Base-Base interactions energy: -228.701
where: short stacking energy: -83.483
Base-Backbone interact. energy: 0.755
local terms energy: -84.444524
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -20.231
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: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -263.623204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.623204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.623204 (E_RNA)
where:
Base-Base interactions energy: -178.813
where: short stacking energy: -65.529
Base-Backbone interact. energy: -0.174
local terms energy: -84.635554
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -264.804789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.804789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.804789 (E_RNA)
where:
Base-Base interactions energy: -172.270
where: short stacking energy: -79.953
Base-Backbone interact. energy: -0.023
local terms energy: -92.511740
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -245.228536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.228536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.228536 (E_RNA)
where:
Base-Base interactions energy: -162.517
where: short stacking energy: -66.708
Base-Backbone interact. energy: -0.193
local terms energy: -82.518622
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -19.154
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: 282
Temperature: 1.100000
Total energy: -244.609672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.609672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.609672 (E_RNA)
where:
Base-Base interactions energy: -158.117
where: short stacking energy: -72.468
Base-Backbone interact. energy: 1.272
local terms energy: -87.764411
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -19.934
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: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -254.422614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.422614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.422614 (E_RNA)
where:
Base-Base interactions energy: -167.364
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.037
local terms energy: -87.021328
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -230.908778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.908778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.908778 (E_RNA)
where:
Base-Base interactions energy: -149.485
where: short stacking energy: -61.266
Base-Backbone interact. energy: -0.006
local terms energy: -81.417700
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -19.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -209.513855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.513855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.513855 (E_RNA)
where:
Base-Base interactions energy: -138.666
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.141
local terms energy: -70.707310
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.235
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: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -87.652384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.652384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.652384 (E_RNA)
where:
Base-Base interactions energy: -31.442
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.833
local terms energy: -55.376958
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -88.145482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.145482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.145482 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -20.604
Base-Backbone interact. energy: -0.156
local terms energy: -58.483221
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -1.611
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: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -318.355105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.355105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.355105 (E_RNA)
where:
Base-Base interactions energy: -226.507
where: short stacking energy: -81.628
Base-Backbone interact. energy: -0.513
local terms energy: -91.334629
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -22.140
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: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -268.088747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.088747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.088747 (E_RNA)
where:
Base-Base interactions energy: -180.347
where: short stacking energy: -80.783
Base-Backbone interact. energy: -0.089
local terms energy: -87.652322
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -13.265
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: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -285.453787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.453787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.453787 (E_RNA)
where:
Base-Base interactions energy: -193.115
where: short stacking energy: -90.466
Base-Backbone interact. energy: -0.084
local terms energy: -92.255196
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -24.761
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: 4, replica: 7
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -260.265557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.265557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.265557 (E_RNA)
where:
Base-Base interactions energy: -172.085
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.248
local terms energy: -87.932551
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -257.686133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.686133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.686133 (E_RNA)
where:
Base-Base interactions energy: -171.331
where: short stacking energy: -73.897
Base-Backbone interact. energy: -0.381
local terms energy: -85.974299
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -239.040331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.040331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.040331 (E_RNA)
where:
Base-Base interactions energy: -163.721
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.061
local terms energy: -75.258522
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -254.952625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.952625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.952625 (E_RNA)
where:
Base-Base interactions energy: -162.539
where: short stacking energy: -74.390
Base-Backbone interact. energy: -1.121
local terms energy: -91.291925
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -13.892
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: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -208.157516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.157516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.157516 (E_RNA)
where:
Base-Base interactions energy: -140.361
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.008
local terms energy: -67.788835
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -13.519
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: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -86.466449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.466449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.466449 (E_RNA)
where:
Base-Base interactions energy: -27.922
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.114
local terms energy: -58.430064
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.917
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: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -93.268652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.268652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.268652 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.319
local terms energy: -51.923358
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -321.266069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.266069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.266069 (E_RNA)
where:
Base-Base interactions energy: -230.662
where: short stacking energy: -90.402
Base-Backbone interact. energy: 1.129
local terms energy: -91.732686
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -294.973121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.973121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.973121 (E_RNA)
where:
Base-Base interactions energy: -203.594
where: short stacking energy: -82.866
Base-Backbone interact. energy: -0.082
local terms energy: -91.297453
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -24.785
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: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -284.098219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.098219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.098219 (E_RNA)
where:
Base-Base interactions energy: -186.343
where: short stacking energy: -85.512
Base-Backbone interact. energy: 0.750
local terms energy: -98.505091
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -25.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -255.963378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.963378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.963378 (E_RNA)
where:
Base-Base interactions energy: -169.335
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.218
local terms energy: -86.410822
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -247.419247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.419247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.419247 (E_RNA)
where:
Base-Base interactions energy: -159.507
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.040
local terms energy: -87.872494
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -12.691
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: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -241.911278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.911278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.911278 (E_RNA)
where:
Base-Base interactions energy: -157.131
where: short stacking energy: -76.616
Base-Backbone interact. energy: 0.444
local terms energy: -85.224122
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -22.690
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: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -227.486854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.486854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.486854 (E_RNA)
where:
Base-Base interactions energy: -152.804
where: short stacking energy: -76.290
Base-Backbone interact. energy: -0.311
local terms energy: -74.371998
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -233.655158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.655158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.655158 (E_RNA)
where:
Base-Base interactions energy: -149.372
where: short stacking energy: -64.637
Base-Backbone interact. energy: -0.858
local terms energy: -83.425700
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -13.991
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: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -103.047916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.047916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.047916 (E_RNA)
where:
Base-Base interactions energy: -45.453
where: short stacking energy: -33.008
Base-Backbone interact. energy: -0.268
local terms energy: -57.327008
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -87.143064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143064 (E_RNA)
where:
Base-Base interactions energy: -39.734
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.886
local terms energy: -46.523762
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -0.802
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: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -315.010281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.010281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.010281 (E_RNA)
where:
Base-Base interactions energy: -230.855
where: short stacking energy: -87.601
Base-Backbone interact. energy: -0.872
local terms energy: -83.283661
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -13.985
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: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -282.086552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.086552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.086552 (E_RNA)
where:
Base-Base interactions energy: -189.472
where: short stacking energy: -85.887
Base-Backbone interact. energy: -0.039
local terms energy: -92.575978
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -284.918693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.918693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.918693 (E_RNA)
where:
Base-Base interactions energy: -189.936
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.828
local terms energy: -94.155013
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -274.055990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.055990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.055990 (E_RNA)
where:
Base-Base interactions energy: -197.234
where: short stacking energy: -77.069
Base-Backbone interact. energy: -0.101
local terms energy: -76.720705
where:
bonds (distance) C4'-P energy: -5.978
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -22.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -247.045101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.045101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.045101 (E_RNA)
where:
Base-Base interactions energy: -164.543
where: short stacking energy: -71.534
Base-Backbone interact. energy: -0.091
local terms energy: -82.410719
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -229.178348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.178348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.178348 (E_RNA)
where:
Base-Base interactions energy: -151.112
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.118
local terms energy: -77.948287
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -13.574
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: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -220.632694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.632694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.632694 (E_RNA)
where:
Base-Base interactions energy: -139.957
where: short stacking energy: -65.258
Base-Backbone interact. energy: 0.059
local terms energy: -80.735103
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -227.062630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.062630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.062630 (E_RNA)
where:
Base-Base interactions energy: -145.248
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.259
local terms energy: -81.555347
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -94.171037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.171037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.171037 (E_RNA)
where:
Base-Base interactions energy: -32.706
where: short stacking energy: -29.735
Base-Backbone interact. energy: -0.128
local terms energy: -61.336654
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -105.161421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.161421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.161421 (E_RNA)
where:
Base-Base interactions energy: -49.912
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.205
local terms energy: -55.044395
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -323.185475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.185475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.185475 (E_RNA)
where:
Base-Base interactions energy: -233.744
where: short stacking energy: -80.736
Base-Backbone interact. energy: 0.785
local terms energy: -90.226244
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -22.362
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: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -301.730393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.730393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.730393 (E_RNA)
where:
Base-Base interactions energy: -210.104
where: short stacking energy: -84.712
Base-Backbone interact. energy: -0.102
local terms energy: -91.523973
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -15.185
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: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -284.937276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.937276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.937276 (E_RNA)
where:
Base-Base interactions energy: -198.598
where: short stacking energy: -84.304
Base-Backbone interact. energy: -0.106
local terms energy: -86.233705
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -275.717724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.717724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.717724 (E_RNA)
where:
Base-Base interactions energy: -184.703
where: short stacking energy: -83.009
Base-Backbone interact. energy: -0.062
local terms energy: -90.952773
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -25.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -243.573464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.573464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.573464 (E_RNA)
where:
Base-Base interactions energy: -161.211
where: short stacking energy: -75.758
Base-Backbone interact. energy: -0.216
local terms energy: -82.146531
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -260.616994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.616994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.616994 (E_RNA)
where:
Base-Base interactions energy: -181.821
where: short stacking energy: -77.300
Base-Backbone interact. energy: -0.026
local terms energy: -78.769826
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -20.536
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: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -227.085083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.085083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.085083 (E_RNA)
where:
Base-Base interactions energy: -150.117
where: short stacking energy: -62.429
Base-Backbone interact. energy: 0.343
local terms energy: -77.310953
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -206.131906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.131906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.131906 (E_RNA)
where:
Base-Base interactions energy: -137.181
where: short stacking energy: -52.897
Base-Backbone interact. energy: -0.471
local terms energy: -68.480103
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -108.514320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.514320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.514320 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -38.575
Base-Backbone interact. energy: -0.287
local terms energy: -65.274970
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -98.964548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.964548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.964548 (E_RNA)
where:
Base-Base interactions energy: -37.001
where: short stacking energy: -37.001
Base-Backbone interact. energy: -0.474
local terms energy: -61.489556
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -321.688825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.688825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.688825 (E_RNA)
where:
Base-Base interactions energy: -233.774
where: short stacking energy: -84.090
Base-Backbone interact. energy: 0.171
local terms energy: -88.085238
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -22.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -292.890280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.890280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.890280 (E_RNA)
where:
Base-Base interactions energy: -199.625
where: short stacking energy: -84.920
Base-Backbone interact. energy: -0.346
local terms energy: -92.919597
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -12.885
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: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -286.679328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.679328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.679328 (E_RNA)
where:
Base-Base interactions energy: -198.112
where: short stacking energy: -82.366
Base-Backbone interact. energy: -0.094
local terms energy: -88.473750
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -282.497472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.497472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.497472 (E_RNA)
where:
Base-Base interactions energy: -187.700
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.100
local terms energy: -94.698244
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -258.832016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.832016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.832016 (E_RNA)
where:
Base-Base interactions energy: -175.839
where: short stacking energy: -78.111
Base-Backbone interact. energy: -0.083
local terms energy: -82.909401
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -263.120649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.120649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.120649 (E_RNA)
where:
Base-Base interactions energy: -177.588
where: short stacking energy: -74.948
Base-Backbone interact. energy: -0.000
local terms energy: -85.532408
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -12.974
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: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -240.602015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.602015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.602015 (E_RNA)
where:
Base-Base interactions energy: -166.444
where: short stacking energy: -65.986
Base-Backbone interact. energy: -0.187
local terms energy: -73.970789
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -211.016343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.016343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.016343 (E_RNA)
where:
Base-Base interactions energy: -139.080
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.247
local terms energy: -71.688888
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -89.537554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.537554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.537554 (E_RNA)
where:
Base-Base interactions energy: -25.258
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.337
local terms energy: -63.942694
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -80.043122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.043122 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -29.199
Base-Backbone interact. energy: -0.166
local terms energy: -46.731801
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -8.834
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: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -320.445299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.445299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.445299 (E_RNA)
where:
Base-Base interactions energy: -232.512
where: short stacking energy: -88.294
Base-Backbone interact. energy: 0.678
local terms energy: -88.611131
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -23.408
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: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -289.243274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.243274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.243274 (E_RNA)
where:
Base-Base interactions energy: -201.227
where: short stacking energy: -87.521
Base-Backbone interact. energy: -0.080
local terms energy: -87.936744
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -25.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -280.766178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.766178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.766178 (E_RNA)
where:
Base-Base interactions energy: -194.690
where: short stacking energy: -77.261
Base-Backbone interact. energy: -0.102
local terms energy: -85.973569
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -275.387620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.387620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.387620 (E_RNA)
where:
Base-Base interactions energy: -178.085
where: short stacking energy: -83.932
Base-Backbone interact. energy: -0.083
local terms energy: -97.219956
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -15.613
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: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -251.595068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.595068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.595068 (E_RNA)
where:
Base-Base interactions energy: -166.506
where: short stacking energy: -71.136
Base-Backbone interact. energy: -0.004
local terms energy: -85.085070
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -13.358
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: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -256.076798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.076798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.076798 (E_RNA)
where:
Base-Base interactions energy: -167.877
where: short stacking energy: -75.988
Base-Backbone interact. energy: -0.727
local terms energy: -87.473020
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -13.569
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: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -231.478252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.478252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.478252 (E_RNA)
where:
Base-Base interactions energy: -162.403
where: short stacking energy: -64.723
Base-Backbone interact. energy: -0.365
local terms energy: -68.710523
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -2.401
tors. eta vs tors. theta energy: -17.873
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: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -212.597416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.597416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.597416 (E_RNA)
where:
Base-Base interactions energy: -139.504
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.077
local terms energy: -73.016012
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -93.047297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.047297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.047297 (E_RNA)
where:
Base-Base interactions energy: -36.084
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.324
local terms energy: -56.639733
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -11.419
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: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -94.857685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.857685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.857685 (E_RNA)
where:
Base-Base interactions energy: -37.899
where: short stacking energy: -37.899
Base-Backbone interact. energy: -0.170
local terms energy: -56.788258
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -311.896639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.896639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.896639 (E_RNA)
where:
Base-Base interactions energy: -226.278
where: short stacking energy: -80.515
Base-Backbone interact. energy: -0.154
local terms energy: -85.464267
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -282.796416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.796416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.796416 (E_RNA)
where:
Base-Base interactions energy: -187.372
where: short stacking energy: -78.279
Base-Backbone interact. energy: -0.052
local terms energy: -95.372500
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -286.516934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.516934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.516934 (E_RNA)
where:
Base-Base interactions energy: -201.971
where: short stacking energy: -84.049
Base-Backbone interact. energy: -0.104
local terms energy: -84.442186
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -276.321510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.321510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.321510 (E_RNA)
where:
Base-Base interactions energy: -192.505
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.470
local terms energy: -83.346506
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -268.593043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.593043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.593043 (E_RNA)
where:
Base-Base interactions energy: -179.668
where: short stacking energy: -77.655
Base-Backbone interact. energy: -0.002
local terms energy: -88.922803
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -26.463
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: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -267.272627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.272627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.272627 (E_RNA)
where:
Base-Base interactions energy: -186.341
where: short stacking energy: -82.273
Base-Backbone interact. energy: -0.021
local terms energy: -80.910642
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -23.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -250.124341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.124341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.124341 (E_RNA)
where:
Base-Base interactions energy: -168.869
where: short stacking energy: -83.558
Base-Backbone interact. energy: -0.119
local terms energy: -81.135780
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -203.443574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.443574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.443574 (E_RNA)
where:
Base-Base interactions energy: -128.242
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.127
local terms energy: -75.074056
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -103.489018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.489018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.489018 (E_RNA)
where:
Base-Base interactions energy: -42.110
where: short stacking energy: -41.949
Base-Backbone interact. energy: -0.273
local terms energy: -61.106619
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -91.871835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.871835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.871835 (E_RNA)
where:
Base-Base interactions energy: -27.923
where: short stacking energy: -25.173
Base-Backbone interact. energy: -0.139
local terms energy: -63.809350
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: 0.144
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: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -294.882754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.882754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.882754 (E_RNA)
where:
Base-Base interactions energy: -209.477
where: short stacking energy: -82.496
Base-Backbone interact. energy: -0.298
local terms energy: -85.107471
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -307.452739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.452739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.452739 (E_RNA)
where:
Base-Base interactions energy: -223.830
where: short stacking energy: -82.590
Base-Backbone interact. energy: 1.016
local terms energy: -84.638654
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -23.247
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: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -300.817306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.817306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.817306 (E_RNA)
where:
Base-Base interactions energy: -205.372
where: short stacking energy: -80.723
Base-Backbone interact. energy: -0.714
local terms energy: -94.731264
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -22.316
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: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -278.836245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.836245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.836245 (E_RNA)
where:
Base-Base interactions energy: -185.790
where: short stacking energy: -87.697
Base-Backbone interact. energy: -0.005
local terms energy: -93.041313
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -29.045
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: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -262.182565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.182565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.182565 (E_RNA)
where:
Base-Base interactions energy: -170.831
where: short stacking energy: -70.136
Base-Backbone interact. energy: -0.210
local terms energy: -91.141821
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -253.209137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.209137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.209137 (E_RNA)
where:
Base-Base interactions energy: -161.601
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.893
local terms energy: -90.715252
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -13.003
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: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -241.742707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.742707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.742707 (E_RNA)
where:
Base-Base interactions energy: -162.240
where: short stacking energy: -75.216
Base-Backbone interact. energy: -0.135
local terms energy: -79.367462
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -22.384
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: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -212.710206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.710206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.710206 (E_RNA)
where:
Base-Base interactions energy: -133.116
where: short stacking energy: -58.088
Base-Backbone interact. energy: -0.017
local terms energy: -79.577405
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -16.113
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: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -89.829532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.829532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.829532 (E_RNA)
where:
Base-Base interactions energy: -34.130
where: short stacking energy: -34.130
Base-Backbone interact. energy: -0.065
local terms energy: -55.634401
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -95.277360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.277360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.277360 (E_RNA)
where:
Base-Base interactions energy: -40.100
where: short stacking energy: -28.995
Base-Backbone interact. energy: -0.231
local terms energy: -54.945897
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: 2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -295.302403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.302403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.302403 (E_RNA)
where:
Base-Base interactions energy: -196.248
where: short stacking energy: -84.815
Base-Backbone interact. energy: -1.186
local terms energy: -97.868337
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -308.191914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.191914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.191914 (E_RNA)
where:
Base-Base interactions energy: -207.272
where: short stacking energy: -85.348
Base-Backbone interact. energy: -0.555
local terms energy: -100.364935
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -24.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -306.045477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.045477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.045477 (E_RNA)
where:
Base-Base interactions energy: -219.932
where: short stacking energy: -77.752
Base-Backbone interact. energy: 0.928
local terms energy: -87.041467
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -277.953008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.953008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.953008 (E_RNA)
where:
Base-Base interactions energy: -191.034
where: short stacking energy: -79.634
Base-Backbone interact. energy: -0.053
local terms energy: -86.866194
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -262.861591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.861591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.861591 (E_RNA)
where:
Base-Base interactions energy: -171.726
where: short stacking energy: -69.919
Base-Backbone interact. energy: 0.290
local terms energy: -91.425373
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -23.023
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: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -277.227128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.227128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.227128 (E_RNA)
where:
Base-Base interactions energy: -186.133
where: short stacking energy: -85.611
Base-Backbone interact. energy: -0.009
local terms energy: -91.085071
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -221.603238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.603238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.603238 (E_RNA)
where:
Base-Base interactions energy: -139.932
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.152
local terms energy: -81.519280
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -103.308614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.308614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.308614 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.138
local terms energy: -65.550049
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -4.377
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: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -198.530901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.530901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.530901 (E_RNA)
where:
Base-Base interactions energy: -127.097
where: short stacking energy: -53.086
Base-Backbone interact. energy: 1.076
local terms energy: -72.509819
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -101.137783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.137783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.137783 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -23.514
Base-Backbone interact. energy: -0.264
local terms energy: -66.526645
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -300.750174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.750174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.750174 (E_RNA)
where:
Base-Base interactions energy: -204.617
where: short stacking energy: -82.333
Base-Backbone interact. energy: -0.094
local terms energy: -96.038539
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -291.865896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.865896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.865896 (E_RNA)
where:
Base-Base interactions energy: -194.507
where: short stacking energy: -84.236
Base-Backbone interact. energy: -0.272
local terms energy: -97.086742
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -312.846533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.846533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.846533 (E_RNA)
where:
Base-Base interactions energy: -224.985
where: short stacking energy: -81.861
Base-Backbone interact. energy: 1.186
local terms energy: -89.047143
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -276.102490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.102490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.102490 (E_RNA)
where:
Base-Base interactions energy: -186.152
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.221
local terms energy: -89.729412
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -22.599
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: 292
Temperature: 1.100000
Total energy: -261.980266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.980266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.980266 (E_RNA)
where:
Base-Base interactions energy: -177.702
where: short stacking energy: -74.540
Base-Backbone interact. energy: -0.110
local terms energy: -84.168276
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -253.330283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.330283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.330283 (E_RNA)
where:
Base-Base interactions energy: -165.663
where: short stacking energy: -71.330
Base-Backbone interact. energy: -0.249
local terms energy: -87.418824
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -258.215566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.215566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.215566 (E_RNA)
where:
Base-Base interactions energy: -168.769
where: short stacking energy: -75.768
Base-Backbone interact. energy: -0.671
local terms energy: -88.775147
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -100.809443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.809443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.809443 (E_RNA)
where:
Base-Base interactions energy: -37.453
where: short stacking energy: -37.453
Base-Backbone interact. energy: -0.084
local terms energy: -63.272227
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -93.282000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.282000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.282000 (E_RNA)
where:
Base-Base interactions energy: -38.319
where: short stacking energy: -11.309
Base-Backbone interact. energy: -0.953
local terms energy: -54.009702
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: 1.817
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: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -196.407135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.407135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.407135 (E_RNA)
where:
Base-Base interactions energy: -127.843
where: short stacking energy: -52.992
Base-Backbone interact. energy: -0.292
local terms energy: -68.271666
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -295.315156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.315156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.315156 (E_RNA)
where:
Base-Base interactions energy: -199.566
where: short stacking energy: -90.853
Base-Backbone interact. energy: -0.396
local terms energy: -95.353905
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -27.470
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: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -306.018316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.018316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.018316 (E_RNA)
where:
Base-Base interactions energy: -215.456
where: short stacking energy: -75.245
Base-Backbone interact. energy: 2.063
local terms energy: -92.625109
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -284.270002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.270002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.270002 (E_RNA)
where:
Base-Base interactions energy: -186.312
where: short stacking energy: -78.952
Base-Backbone interact. energy: -0.101
local terms energy: -97.857175
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -269.585161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.585161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.585161 (E_RNA)
where:
Base-Base interactions energy: -190.067
where: short stacking energy: -74.914
Base-Backbone interact. energy: -0.088
local terms energy: -79.430287
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -274.830763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.830763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.830763 (E_RNA)
where:
Base-Base interactions energy: -195.129
where: short stacking energy: -82.374
Base-Backbone interact. energy: -0.164
local terms energy: -79.537516
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -238.489570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.489570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.489570 (E_RNA)
where:
Base-Base interactions energy: -155.451
where: short stacking energy: -67.352
Base-Backbone interact. energy: 0.819
local terms energy: -83.858057
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -12.724
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: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -250.746578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.746578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.746578 (E_RNA)
where:
Base-Base interactions energy: -161.556
where: short stacking energy: -76.894
Base-Backbone interact. energy: -0.860
local terms energy: -88.331334
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -20.263
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: 293
Temperature: 1.250000
Total energy: -91.735142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.735142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.735142 (E_RNA)
where:
Base-Base interactions energy: -29.860
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.092
local terms energy: -61.783106
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -100.108642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.108642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.108642 (E_RNA)
where:
Base-Base interactions energy: -39.301
where: short stacking energy: -37.229
Base-Backbone interact. energy: 3.460
local terms energy: -64.267804
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -184.283919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.283919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.283919 (E_RNA)
where:
Base-Base interactions energy: -117.213
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.336
local terms energy: -66.734595
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -322.491793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.491793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.491793 (E_RNA)
where:
Base-Base interactions energy: -234.115
where: short stacking energy: -86.581
Base-Backbone interact. energy: 0.917
local terms energy: -89.294632
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -25.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -296.549967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.549967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.549967 (E_RNA)
where:
Base-Base interactions energy: -192.499
where: short stacking energy: -85.457
Base-Backbone interact. energy: -0.603
local terms energy: -103.447508
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -14.555
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: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -296.863754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.863754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.863754 (E_RNA)
where:
Base-Base interactions energy: -199.339
where: short stacking energy: -84.614
Base-Backbone interact. energy: -0.302
local terms energy: -97.222331
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -28.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -278.298267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.298267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.298267 (E_RNA)
where:
Base-Base interactions energy: -189.573
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.398
local terms energy: -88.327409
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -279.563134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.563134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.563134 (E_RNA)
where:
Base-Base interactions energy: -189.036
where: short stacking energy: -84.362
Base-Backbone interact. energy: -0.839
local terms energy: -89.687786
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -21.974
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: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -249.127154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.127154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.127154 (E_RNA)
where:
Base-Base interactions energy: -166.243
where: short stacking energy: -76.260
Base-Backbone interact. energy: -0.376
local terms energy: -82.508542
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -248.666499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.666499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.666499 (E_RNA)
where:
Base-Base interactions energy: -167.682
where: short stacking energy: -69.319
Base-Backbone interact. energy: 0.196
local terms energy: -81.181113
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -12.092
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: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -104.231205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.231205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.231205 (E_RNA)
where:
Base-Base interactions energy: -44.058
where: short stacking energy: -31.201
Base-Backbone interact. energy: -0.144
local terms energy: -60.029781
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -171.571569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.571569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.571569 (E_RNA)
where:
Base-Base interactions energy: -102.204
where: short stacking energy: -42.415
Base-Backbone interact. energy: -0.172
local terms energy: -69.195908
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -9.503
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: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -88.890242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.890242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.890242 (E_RNA)
where:
Base-Base interactions energy: -27.348
where: short stacking energy: -27.348
Base-Backbone interact. energy: -0.084
local terms energy: -61.458574
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -314.932246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.932246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.932246 (E_RNA)
where:
Base-Base interactions energy: -220.112
where: short stacking energy: -80.384
Base-Backbone interact. energy: 0.432
local terms energy: -95.251951
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -21.729
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: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -293.457799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.457799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.457799 (E_RNA)
where:
Base-Base interactions energy: -196.015
where: short stacking energy: -92.608
Base-Backbone interact. energy: -0.203
local terms energy: -97.240427
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -27.537
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: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -275.622474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.622474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.622474 (E_RNA)
where:
Base-Base interactions energy: -182.027
where: short stacking energy: -81.005
Base-Backbone interact. energy: -0.564
local terms energy: -93.030800
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -26.501
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: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -281.307313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.307313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.307313 (E_RNA)
where:
Base-Base interactions energy: -196.018
where: short stacking energy: -86.907
Base-Backbone interact. energy: 1.119
local terms energy: -86.408746
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -245.214244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.214244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.214244 (E_RNA)
where:
Base-Base interactions energy: -161.648
where: short stacking energy: -75.414
Base-Backbone interact. energy: -0.027
local terms energy: -83.538672
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -16.690
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: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -254.942624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.942624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.942624 (E_RNA)
where:
Base-Base interactions energy: -168.903
where: short stacking energy: -72.181
Base-Backbone interact. energy: 0.394
local terms energy: -86.433688
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -22.831
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: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -234.304420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.304420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.304420 (E_RNA)
where:
Base-Base interactions energy: -155.302
where: short stacking energy: -68.750
Base-Backbone interact. energy: -0.012
local terms energy: -78.990229
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -17.902
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: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -141.498472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.498472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.498472 (E_RNA)
where:
Base-Base interactions energy: -84.039
where: short stacking energy: -39.431
Base-Backbone interact. energy: 0.378
local terms energy: -57.837306
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -5.492
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: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -95.726141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.726141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.726141 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.119
local terms energy: -58.978401
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -80.381274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.381274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.381274 (E_RNA)
where:
Base-Base interactions energy: -22.142
where: short stacking energy: -21.641
Base-Backbone interact. energy: -0.186
local terms energy: -58.053863
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -316.503307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.503307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.503307 (E_RNA)
where:
Base-Base interactions energy: -227.559
where: short stacking energy: -86.852
Base-Backbone interact. energy: 0.627
local terms energy: -89.571622
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -21.683
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: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -300.061896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.061896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.061896 (E_RNA)
where:
Base-Base interactions energy: -202.925
where: short stacking energy: -88.481
Base-Backbone interact. energy: -0.079
local terms energy: -97.057303
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -26.231
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: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -279.932152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.932152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.932152 (E_RNA)
where:
Base-Base interactions energy: -195.384
where: short stacking energy: -81.438
Base-Backbone interact. energy: -0.382
local terms energy: -84.166836
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -282.078488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.078488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.078488 (E_RNA)
where:
Base-Base interactions energy: -180.014
where: short stacking energy: -86.560
Base-Backbone interact. energy: -0.913
local terms energy: -101.150611
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -26.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -280.343765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.343765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.343765 (E_RNA)
where:
Base-Base interactions energy: -194.868
where: short stacking energy: -76.104
Base-Backbone interact. energy: -0.178
local terms energy: -85.297833
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -24.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -262.130057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.130057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.130057 (E_RNA)
where:
Base-Base interactions energy: -175.820
where: short stacking energy: -78.421
Base-Backbone interact. energy: -0.022
local terms energy: -86.287551
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -230.828313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.828313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.828313 (E_RNA)
where:
Base-Base interactions energy: -153.808
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.537
local terms energy: -76.483079
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -141.440435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.440435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.440435 (E_RNA)
where:
Base-Base interactions energy: -71.741
where: short stacking energy: -34.540
Base-Backbone interact. energy: -1.147
local terms energy: -68.552620
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -14.574
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: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -105.660063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.660063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.660063 (E_RNA)
where:
Base-Base interactions energy: -43.800
where: short stacking energy: -36.553
Base-Backbone interact. energy: -0.031
local terms energy: -61.829161
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -9.710
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: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -102.499588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.499588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.499588 (E_RNA)
where:
Base-Base interactions energy: -34.350
where: short stacking energy: -24.523
Base-Backbone interact. energy: 0.308
local terms energy: -68.456846
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.271
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: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -319.556956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.556956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.556956 (E_RNA)
where:
Base-Base interactions energy: -229.707
where: short stacking energy: -89.607
Base-Backbone interact. energy: 0.580
local terms energy: -90.429854
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -286.964258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.964258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.964258 (E_RNA)
where:
Base-Base interactions energy: -187.808
where: short stacking energy: -88.633
Base-Backbone interact. energy: -0.327
local terms energy: -98.828528
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -28.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -289.169606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.169606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.169606 (E_RNA)
where:
Base-Base interactions energy: -193.353
where: short stacking energy: -79.890
Base-Backbone interact. energy: 0.936
local terms energy: -96.752092
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -9.867
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: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -257.626821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.626821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.626821 (E_RNA)
where:
Base-Base interactions energy: -175.252
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.211
local terms energy: -82.163203
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -267.414333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.414333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.414333 (E_RNA)
where:
Base-Base interactions energy: -189.356
where: short stacking energy: -81.451
Base-Backbone interact. energy: -0.036
local terms energy: -78.022330
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -10.667
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -224.211018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.211018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.211018 (E_RNA)
where:
Base-Base interactions energy: -146.862
where: short stacking energy: -68.032
Base-Backbone interact. energy: -0.113
local terms energy: -77.235839
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -256.891127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.891127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.891127 (E_RNA)
where:
Base-Base interactions energy: -177.698
where: short stacking energy: -79.735
Base-Backbone interact. energy: -0.007
local terms energy: -79.186887
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -98.663222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.663222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.663222 (E_RNA)
where:
Base-Base interactions energy: -48.906
where: short stacking energy: -27.062
Base-Backbone interact. energy: -1.304
local terms energy: -48.452955
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -2.999
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -105.095440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.095440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.095440 (E_RNA)
where:
Base-Base interactions energy: -45.711
where: short stacking energy: -42.380
Base-Backbone interact. energy: 1.809
local terms energy: -61.192514
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -93.426912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.426912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.426912 (E_RNA)
where:
Base-Base interactions energy: -41.533
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.333
local terms energy: -51.560386
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: 4.211
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: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -314.328684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.328684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.328684 (E_RNA)
where:
Base-Base interactions energy: -226.372
where: short stacking energy: -81.701
Base-Backbone interact. energy: 0.294
local terms energy: -88.250055
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -281.681414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.681414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.681414 (E_RNA)
where:
Base-Base interactions energy: -189.962
where: short stacking energy: -85.041
Base-Backbone interact. energy: -0.047
local terms energy: -91.672720
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -13.101
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: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -275.546231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.546231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.546231 (E_RNA)
where:
Base-Base interactions energy: -188.747
where: short stacking energy: -80.422
Base-Backbone interact. energy: -0.309
local terms energy: -86.490329
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -23.826
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: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -276.873401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.873401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.873401 (E_RNA)
where:
Base-Base interactions energy: -183.192
where: short stacking energy: -84.792
Base-Backbone interact. energy: -0.096
local terms energy: -93.585205
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -24.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -262.588254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.588254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.588254 (E_RNA)
where:
Base-Base interactions energy: -181.578
where: short stacking energy: -71.799
Base-Backbone interact. energy: -0.008
local terms energy: -81.001931
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -265.961689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.961689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.961689 (E_RNA)
where:
Base-Base interactions energy: -180.547
where: short stacking energy: -71.048
Base-Backbone interact. energy: -0.083
local terms energy: -85.331814
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -213.388989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.388989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388989 (E_RNA)
where:
Base-Base interactions energy: -139.803
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.199
local terms energy: -73.387275
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -104.393854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.393854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.393854 (E_RNA)
where:
Base-Base interactions energy: -43.236
where: short stacking energy: -39.849
Base-Backbone interact. energy: 0.178
local terms energy: -61.335590
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -104.538769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.538769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.538769 (E_RNA)
where:
Base-Base interactions energy: -40.940
where: short stacking energy: -40.699
Base-Backbone interact. energy: 0.637
local terms energy: -64.235807
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -80.535843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.535843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.535843 (E_RNA)
where:
Base-Base interactions energy: -28.741
where: short stacking energy: -14.870
Base-Backbone interact. energy: -0.261
local terms energy: -51.533704
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: 0.165
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: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -317.364118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.364118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.364118 (E_RNA)
where:
Base-Base interactions energy: -225.061
where: short stacking energy: -84.779
Base-Backbone interact. energy: 2.144
local terms energy: -94.446755
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -285.037429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.037429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.037429 (E_RNA)
where:
Base-Base interactions energy: -188.258
where: short stacking energy: -86.150
Base-Backbone interact. energy: -0.022
local terms energy: -96.757661
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -13.190
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: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -280.533907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.533907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.533907 (E_RNA)
where:
Base-Base interactions energy: -187.472
where: short stacking energy: -79.980
Base-Backbone interact. energy: -0.123
local terms energy: -92.938669
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -13.059
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: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -275.965685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.965685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.965685 (E_RNA)
where:
Base-Base interactions energy: -194.652
where: short stacking energy: -77.004
Base-Backbone interact. energy: -0.227
local terms energy: -81.086036
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -241.344857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.344857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.344857 (E_RNA)
where:
Base-Base interactions energy: -159.768
where: short stacking energy: -65.742
Base-Backbone interact. energy: -0.041
local terms energy: -81.536324
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -221.781342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.781342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.781342 (E_RNA)
where:
Base-Base interactions energy: -153.082
where: short stacking energy: -64.912
Base-Backbone interact. energy: 0.925
local terms energy: -69.623764
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -13.243
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: 299
Temperature: 1.200000
Total energy: -235.443731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.443731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.443731 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -69.767
Base-Backbone interact. energy: -0.048
local terms energy: -80.716350
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -97.402502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.402502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.402502 (E_RNA)
where:
Base-Base interactions energy: -29.084
where: short stacking energy: -23.863
Base-Backbone interact. energy: -0.350
local terms energy: -67.969180
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: 0.628
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: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -87.001188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.001188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.001188 (E_RNA)
where:
Base-Base interactions energy: -31.960
where: short stacking energy: -24.523
Base-Backbone interact. energy: -0.503
local terms energy: -54.538387
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -91.328742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.328742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.328742 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -36.451
Base-Backbone interact. energy: 0.711
local terms energy: -55.588609
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -8.305
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -317.161543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.161543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.161543 (E_RNA)
where:
Base-Base interactions energy: -228.764
where: short stacking energy: -78.243
Base-Backbone interact. energy: 0.460
local terms energy: -88.857810
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -285.715733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.715733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.715733 (E_RNA)
where:
Base-Base interactions energy: -195.070
where: short stacking energy: -82.115
Base-Backbone interact. energy: 0.802
local terms energy: -91.447579
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -282.931067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.931067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.931067 (E_RNA)
where:
Base-Base interactions energy: -186.065
where: short stacking energy: -76.990
Base-Backbone interact. energy: 0.452
local terms energy: -97.317850
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -277.447249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.447249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.447249 (E_RNA)
where:
Base-Base interactions energy: -175.609
where: short stacking energy: -81.177
Base-Backbone interact. energy: -0.680
local terms energy: -101.157935
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -269.699366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.699366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.699366 (E_RNA)
where:
Base-Base interactions energy: -178.185
where: short stacking energy: -81.012
Base-Backbone interact. energy: -0.033
local terms energy: -91.481497
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -11.972
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: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -188.365400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.365400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.365400 (E_RNA)
where:
Base-Base interactions energy: -125.512
where: short stacking energy: -53.823
Base-Backbone interact. energy: -0.134
local terms energy: -62.719170
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -1.146
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -253.318876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.318876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.318876 (E_RNA)
where:
Base-Base interactions energy: -166.471
where: short stacking energy: -70.976
Base-Backbone interact. energy: -0.114
local terms energy: -86.734570
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -23.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -93.844895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.844895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.844895 (E_RNA)
where:
Base-Base interactions energy: -33.046
where: short stacking energy: -29.217
Base-Backbone interact. energy: -0.383
local terms energy: -60.416337
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -3.438
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: 300
Temperature: 1.300000
Total energy: -93.776612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.776612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.776612 (E_RNA)
where:
Base-Base interactions energy: -36.376
where: short stacking energy: -24.648
Base-Backbone interact. energy: -0.075
local terms energy: -57.325947
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: 0.701
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: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -87.341271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.341271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.341271 (E_RNA)
where:
Base-Base interactions energy: -39.199
where: short stacking energy: -31.987
Base-Backbone interact. energy: -0.523
local terms energy: -47.618648
where:
bonds (distance) C4'-P energy: 0.229
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -5.178
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: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -317.194398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.194398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.194398 (E_RNA)
where:
Base-Base interactions energy: -226.571
where: short stacking energy: -82.094
Base-Backbone interact. energy: 0.793
local terms energy: -91.416218
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -296.961790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.961790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.961790 (E_RNA)
where:
Base-Base interactions energy: -208.834
where: short stacking energy: -85.318
Base-Backbone interact. energy: -0.150
local terms energy: -87.977394
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -290.665165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.665165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.665165 (E_RNA)
where:
Base-Base interactions energy: -195.388
where: short stacking energy: -75.366
Base-Backbone interact. energy: -0.552
local terms energy: -94.725886
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -25.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -284.106857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.106857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.106857 (E_RNA)
where:
Base-Base interactions energy: -193.065
where: short stacking energy: -81.312
Base-Backbone interact. energy: -0.042
local terms energy: -90.999855
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -13.256
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: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -264.484504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.484504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.484504 (E_RNA)
where:
Base-Base interactions energy: -172.860
where: short stacking energy: -82.886
Base-Backbone interact. energy: -0.021
local terms energy: -91.602975
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -26.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -246.826145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.826145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.826145 (E_RNA)
where:
Base-Base interactions energy: -162.791
where: short stacking energy: -72.610
Base-Backbone interact. energy: -0.006
local terms energy: -84.028791
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -223.363494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.363494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.363494 (E_RNA)
where:
Base-Base interactions energy: -152.562
where: short stacking energy: -72.542
Base-Backbone interact. energy: -0.699
local terms energy: -70.103234
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -116.699222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.699222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.699222 (E_RNA)
where:
Base-Base interactions energy: -46.917
where: short stacking energy: -46.396
Base-Backbone interact. energy: -0.033
local terms energy: -69.748858
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -12.141
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: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -88.881330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.881330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.881330 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -36.750
Base-Backbone interact. energy: 0.015
local terms energy: -49.858745
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: 0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -110.167768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.167768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.167768 (E_RNA)
where:
Base-Base interactions energy: -46.726
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.063
local terms energy: -63.378366
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -317.981545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.981545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.981545 (E_RNA)
where:
Base-Base interactions energy: -221.539
where: short stacking energy: -84.494
Base-Backbone interact. energy: 0.568
local terms energy: -97.010660
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -23.946
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: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -293.633776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.633776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.633776 (E_RNA)
where:
Base-Base interactions energy: -201.890
where: short stacking energy: -83.586
Base-Backbone interact. energy: -0.077
local terms energy: -91.665982
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -27.532
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: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -284.973234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.973234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.973234 (E_RNA)
where:
Base-Base interactions energy: -197.475
where: short stacking energy: -79.503
Base-Backbone interact. energy: -0.106
local terms energy: -87.392272
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -21.199
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: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -275.267670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.267670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.267670 (E_RNA)
where:
Base-Base interactions energy: -179.500
where: short stacking energy: -82.351
Base-Backbone interact. energy: -1.287
local terms energy: -94.479922
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -28.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -281.675903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.675903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.675903 (E_RNA)
where:
Base-Base interactions energy: -190.397
where: short stacking energy: -79.916
Base-Backbone interact. energy: -0.051
local terms energy: -91.227268
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -24.947
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: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -262.942271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.942271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.942271 (E_RNA)
where:
Base-Base interactions energy: -172.731
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.156
local terms energy: -90.054875
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -234.446047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.446047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.446047 (E_RNA)
where:
Base-Base interactions energy: -161.536
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.092
local terms energy: -72.818306
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -19.286
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: 302
Temperature: 1.250000
Total energy: -103.339761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.339761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.339761 (E_RNA)
where:
Base-Base interactions energy: -46.099
where: short stacking energy: -34.580
Base-Backbone interact. energy: -0.094
local terms energy: -57.146426
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -3.566
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: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -97.818327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.818327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.818327 (E_RNA)
where:
Base-Base interactions energy: -46.159
where: short stacking energy: -38.106
Base-Backbone interact. energy: 0.554
local terms energy: -52.213062
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -89.593075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.593075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.593075 (E_RNA)
where:
Base-Base interactions energy: -39.403
where: short stacking energy: -15.119
Base-Backbone interact. energy: 0.220
local terms energy: -50.410573
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -4.609
tors. eta vs tors. theta energy: 7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -319.599517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.599517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.599517 (E_RNA)
where:
Base-Base interactions energy: -227.378
where: short stacking energy: -83.688
Base-Backbone interact. energy: 0.130
local terms energy: -92.351659
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -13.977
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: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -287.076299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.076299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.076299 (E_RNA)
where:
Base-Base interactions energy: -192.327
where: short stacking energy: -81.200
Base-Backbone interact. energy: -0.014
local terms energy: -94.734911
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -25.055
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: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -292.518156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.518156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.518156 (E_RNA)
where:
Base-Base interactions energy: -198.912
where: short stacking energy: -85.575
Base-Backbone interact. energy: -0.090
local terms energy: -93.516438
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -28.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -274.930520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.930520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.930520 (E_RNA)
where:
Base-Base interactions energy: -188.072
where: short stacking energy: -77.961
Base-Backbone interact. energy: -0.023
local terms energy: -86.835982
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -21.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -277.735205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.735205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.735205 (E_RNA)
where:
Base-Base interactions energy: -192.532
where: short stacking energy: -80.135
Base-Backbone interact. energy: -0.229
local terms energy: -84.973995
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -247.666099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.666099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.666099 (E_RNA)
where:
Base-Base interactions energy: -164.240
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.098
local terms energy: -83.328217
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -13.895
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: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -240.247009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.247009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.247009 (E_RNA)
where:
Base-Base interactions energy: -162.557
where: short stacking energy: -71.421
Base-Backbone interact. energy: -0.001
local terms energy: -77.689382
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -20.834
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: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -107.510523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.510523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.510523 (E_RNA)
where:
Base-Base interactions energy: -39.619
where: short stacking energy: -39.619
Base-Backbone interact. energy: -0.109
local terms energy: -67.783028
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -85.899331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.899331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.899331 (E_RNA)
where:
Base-Base interactions energy: -19.862
where: short stacking energy: -19.862
Base-Backbone interact. energy: -0.091
local terms energy: -65.945993
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -96.247351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.247351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.247351 (E_RNA)
where:
Base-Base interactions energy: -40.908
where: short stacking energy: -32.577
Base-Backbone interact. energy: -0.547
local terms energy: -54.792609
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -315.282726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.282726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.282726 (E_RNA)
where:
Base-Base interactions energy: -224.158
where: short stacking energy: -87.568
Base-Backbone interact. energy: 3.008
local terms energy: -94.132924
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -278.580019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.580019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.580019 (E_RNA)
where:
Base-Base interactions energy: -185.456
where: short stacking energy: -80.870
Base-Backbone interact. energy: -0.087
local terms energy: -93.037313
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -288.724101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.724101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.724101 (E_RNA)
where:
Base-Base interactions energy: -200.132
where: short stacking energy: -83.460
Base-Backbone interact. energy: -0.096
local terms energy: -88.496636
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -25.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -279.221517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.221517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.221517 (E_RNA)
where:
Base-Base interactions energy: -184.794
where: short stacking energy: -83.810
Base-Backbone interact. energy: -0.008
local terms energy: -94.419262
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -13.771
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: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -262.000340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.000340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.000340 (E_RNA)
where:
Base-Base interactions energy: -182.522
where: short stacking energy: -78.989
Base-Backbone interact. energy: -0.875
local terms energy: -78.603381
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -262.293662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.293662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.293662 (E_RNA)
where:
Base-Base interactions energy: -178.275
where: short stacking energy: -80.704
Base-Backbone interact. energy: -0.074
local terms energy: -83.943972
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -246.546187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.546187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.546187 (E_RNA)
where:
Base-Base interactions energy: -164.920
where: short stacking energy: -69.274
Base-Backbone interact. energy: -0.068
local terms energy: -81.557584
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -98.357005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.357005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.357005 (E_RNA)
where:
Base-Base interactions energy: -34.441
where: short stacking energy: -20.830
Base-Backbone interact. energy: 1.034
local terms energy: -64.949618
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -90.148009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.148009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.148009 (E_RNA)
where:
Base-Base interactions energy: -28.388
where: short stacking energy: -23.581
Base-Backbone interact. energy: -0.119
local terms energy: -61.640770
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -92.491663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.491663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.491663 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -31.752
Base-Backbone interact. energy: 0.182
local terms energy: -60.504038
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: 0.014
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: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -318.838603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.838603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.838603 (E_RNA)
where:
Base-Base interactions energy: -229.151
where: short stacking energy: -83.634
Base-Backbone interact. energy: 1.629
local terms energy: -91.315965
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -289.671549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.671549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.671549 (E_RNA)
where:
Base-Base interactions energy: -195.855
where: short stacking energy: -84.594
Base-Backbone interact. energy: 1.650
local terms energy: -95.465749
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -278.566046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.566046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.566046 (E_RNA)
where:
Base-Base interactions energy: -181.096
where: short stacking energy: -84.417
Base-Backbone interact. energy: -0.042
local terms energy: -97.427581
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -16.631
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: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -262.345988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.345988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.345988 (E_RNA)
where:
Base-Base interactions energy: -181.136
where: short stacking energy: -65.277
Base-Backbone interact. energy: -0.819
local terms energy: -80.391524
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -270.571166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.571166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.571166 (E_RNA)
where:
Base-Base interactions energy: -179.803
where: short stacking energy: -85.845
Base-Backbone interact. energy: -0.153
local terms energy: -90.614892
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -25.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -240.754479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.754479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.754479 (E_RNA)
where:
Base-Base interactions energy: -154.460
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.183
local terms energy: -86.111131
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -244.951220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.951220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.951220 (E_RNA)
where:
Base-Base interactions energy: -167.862
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.100
local terms energy: -76.989877
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -27.155
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: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -117.430251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.430251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.430251 (E_RNA)
where:
Base-Base interactions energy: -51.324
where: short stacking energy: -32.825
Base-Backbone interact. energy: -0.374
local terms energy: -65.732352
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -8.301
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: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -95.426017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.426017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.426017 (E_RNA)
where:
Base-Base interactions energy: -29.472
where: short stacking energy: -28.238
Base-Backbone interact. energy: -0.093
local terms energy: -65.861142
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -88.156018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.156018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.156018 (E_RNA)
where:
Base-Base interactions energy: -31.531
where: short stacking energy: -20.921
Base-Backbone interact. energy: 0.598
local terms energy: -57.222394
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -4.209
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: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -314.346946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.346946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.346946 (E_RNA)
where:
Base-Base interactions energy: -226.252
where: short stacking energy: -79.337
Base-Backbone interact. energy: 1.381
local terms energy: -89.476648
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -286.804695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.804695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.804695 (E_RNA)
where:
Base-Base interactions energy: -188.731
where: short stacking energy: -88.702
Base-Backbone interact. energy: -0.004
local terms energy: -98.069775
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -27.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -287.822720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.822720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.822720 (E_RNA)
where:
Base-Base interactions energy: -195.941
where: short stacking energy: -78.544
Base-Backbone interact. energy: -0.835
local terms energy: -91.047039
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -25.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -263.993344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.993344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.993344 (E_RNA)
where:
Base-Base interactions energy: -176.082
where: short stacking energy: -74.558
Base-Backbone interact. energy: -0.136
local terms energy: -87.775527
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -276.076365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.076365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.076365 (E_RNA)
where:
Base-Base interactions energy: -190.149
where: short stacking energy: -89.059
Base-Backbone interact. energy: 0.161
local terms energy: -86.088680
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -25.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -248.153457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.153457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.153457 (E_RNA)
where:
Base-Base interactions energy: -161.077
where: short stacking energy: -74.093
Base-Backbone interact. energy: -0.629
local terms energy: -86.447671
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -254.002408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.002408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.002408 (E_RNA)
where:
Base-Base interactions energy: -185.033
where: short stacking energy: -82.518
Base-Backbone interact. energy: -0.235
local terms energy: -68.734738
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -20.655
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: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -99.911328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.911328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.911328 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -34.708
Base-Backbone interact. energy: -0.331
local terms energy: -64.872510
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -99.393055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.393055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.393055 (E_RNA)
where:
Base-Base interactions energy: -29.962
where: short stacking energy: -29.962
Base-Backbone interact. energy: -0.305
local terms energy: -69.125451
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -95.215799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.215799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.215799 (E_RNA)
where:
Base-Base interactions energy: -29.201
where: short stacking energy: -28.118
Base-Backbone interact. energy: -0.133
local terms energy: -65.881670
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -11.924
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: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -321.373916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.373916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.373916 (E_RNA)
where:
Base-Base interactions energy: -238.982
where: short stacking energy: -84.997
Base-Backbone interact. energy: 3.509
local terms energy: -85.900767
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -12.769
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: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -297.372178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.372178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.372178 (E_RNA)
where:
Base-Base interactions energy: -199.258
where: short stacking energy: -87.600
Base-Backbone interact. energy: -0.064
local terms energy: -98.050574
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -26.090
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: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -283.657115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.657115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.657115 (E_RNA)
where:
Base-Base interactions energy: -191.527
where: short stacking energy: -86.555
Base-Backbone interact. energy: -0.063
local terms energy: -92.067141
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -24.219
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: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -274.325409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.325409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.325409 (E_RNA)
where:
Base-Base interactions energy: -182.983
where: short stacking energy: -85.832
Base-Backbone interact. energy: -0.095
local terms energy: -91.247556
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -27.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -245.931556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.931556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.931556 (E_RNA)
where:
Base-Base interactions energy: -169.657
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.298
local terms energy: -75.976711
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -11.083
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: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -268.028792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.028792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.028792 (E_RNA)
where:
Base-Base interactions energy: -176.131
where: short stacking energy: -77.311
Base-Backbone interact. energy: -0.102
local terms energy: -91.795870
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -13.136
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: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -226.793320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.793320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.793320 (E_RNA)
where:
Base-Base interactions energy: -143.488
where: short stacking energy: -60.303
Base-Backbone interact. energy: -0.050
local terms energy: -83.254604
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -8.372
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: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -120.934588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.934588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.934588 (E_RNA)
where:
Base-Base interactions energy: -51.791
where: short stacking energy: -37.948
Base-Backbone interact. energy: -0.311
local terms energy: -68.832649
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -152.046992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.046992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.046992 (E_RNA)
where:
Base-Base interactions energy: -93.099
where: short stacking energy: -42.901
Base-Backbone interact. energy: 1.690
local terms energy: -60.638044
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -7.096
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: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -104.285616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.285616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.285616 (E_RNA)
where:
Base-Base interactions energy: -48.812
where: short stacking energy: -41.654
Base-Backbone interact. energy: -0.070
local terms energy: -55.403445
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -307.909243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.909243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.909243 (E_RNA)
where:
Base-Base interactions energy: -222.135
where: short stacking energy: -79.623
Base-Backbone interact. energy: 1.613
local terms energy: -87.387850
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -16.776
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: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -290.552568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.552568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.552568 (E_RNA)
where:
Base-Base interactions energy: -201.918
where: short stacking energy: -88.411
Base-Backbone interact. energy: -0.804
local terms energy: -87.830865
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -16.673
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: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -280.621490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.621490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.621490 (E_RNA)
where:
Base-Base interactions energy: -186.046
where: short stacking energy: -92.443
Base-Backbone interact. energy: 0.129
local terms energy: -94.704483
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -12.496
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: 308
Temperature: 1.050000
Total energy: -273.522279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.522279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.522279 (E_RNA)
where:
Base-Base interactions energy: -184.002
where: short stacking energy: -78.675
Base-Backbone interact. energy: -0.075
local terms energy: -89.445804
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -237.638229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.638229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.638229 (E_RNA)
where:
Base-Base interactions energy: -150.428
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.120
local terms energy: -87.090452
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -22.309
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: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -256.931745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.931745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.931745 (E_RNA)
where:
Base-Base interactions energy: -175.960
where: short stacking energy: -70.295
Base-Backbone interact. energy: -1.265
local terms energy: -79.706627
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -243.020688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.020688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.020688 (E_RNA)
where:
Base-Base interactions energy: -164.013
where: short stacking energy: -70.028
Base-Backbone interact. energy: -0.065
local terms energy: -78.942484
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -112.339167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.339167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.339167 (E_RNA)
where:
Base-Base interactions energy: -47.441
where: short stacking energy: -45.678
Base-Backbone interact. energy: -0.849
local terms energy: -64.048887
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -153.498040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.498040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.498040 (E_RNA)
where:
Base-Base interactions energy: -90.738
where: short stacking energy: -40.584
Base-Backbone interact. energy: 0.265
local terms energy: -63.024900
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -7.723
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: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -94.395696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.395696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.395696 (E_RNA)
where:
Base-Base interactions energy: -36.079
where: short stacking energy: -32.027
Base-Backbone interact. energy: -1.287
local terms energy: -57.029511
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -320.804519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.804519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.804519 (E_RNA)
where:
Base-Base interactions energy: -232.041
where: short stacking energy: -80.393
Base-Backbone interact. energy: 1.090
local terms energy: -89.853182
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -288.566539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.566539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.566539 (E_RNA)
where:
Base-Base interactions energy: -194.636
where: short stacking energy: -84.005
Base-Backbone interact. energy: -0.180
local terms energy: -93.750458
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -22.359
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: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -286.970722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.970722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.970722 (E_RNA)
where:
Base-Base interactions energy: -193.774
where: short stacking energy: -82.606
Base-Backbone interact. energy: -0.097
local terms energy: -93.099770
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -23.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -268.884626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.884626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.884626 (E_RNA)
where:
Base-Base interactions energy: -178.229
where: short stacking energy: -85.461
Base-Backbone interact. energy: -0.106
local terms energy: -90.549331
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -16.648
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: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -270.318218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.318218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.318218 (E_RNA)
where:
Base-Base interactions energy: -185.696
where: short stacking energy: -79.608
Base-Backbone interact. energy: -0.038
local terms energy: -84.583489
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -22.425
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: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -253.282509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.282509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.282509 (E_RNA)
where:
Base-Base interactions energy: -169.379
where: short stacking energy: -67.657
Base-Backbone interact. energy: -0.065
local terms energy: -83.837894
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -254.256915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.256915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.256915 (E_RNA)
where:
Base-Base interactions energy: -171.922
where: short stacking energy: -72.841
Base-Backbone interact. energy: -0.346
local terms energy: -81.989223
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -163.095519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.095519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.095519 (E_RNA)
where:
Base-Base interactions energy: -89.714
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.404
local terms energy: -72.976584
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -10.566
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: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -98.293965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.293965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.293965 (E_RNA)
where:
Base-Base interactions energy: -32.966
where: short stacking energy: -31.204
Base-Backbone interact. energy: -0.246
local terms energy: -65.081986
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -9.187
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: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -97.109535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.109535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.109535 (E_RNA)
where:
Base-Base interactions energy: -31.667
where: short stacking energy: -31.667
Base-Backbone interact. energy: -0.264
local terms energy: -65.178469
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -315.866686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.866686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.866686 (E_RNA)
where:
Base-Base interactions energy: -226.081
where: short stacking energy: -82.411
Base-Backbone interact. energy: 0.285
local terms energy: -90.070908
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -295.947261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.947261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.947261 (E_RNA)
where:
Base-Base interactions energy: -195.680
where: short stacking energy: -81.282
Base-Backbone interact. energy: -0.079
local terms energy: -100.188295
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -21.317
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -27.236
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: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -290.584010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.584010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.584010 (E_RNA)
where:
Base-Base interactions energy: -195.599
where: short stacking energy: -83.086
Base-Backbone interact. energy: -0.092
local terms energy: -94.892787
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -26.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -264.844005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.844005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.844005 (E_RNA)
where:
Base-Base interactions energy: -176.722
where: short stacking energy: -79.967
Base-Backbone interact. energy: -0.058
local terms energy: -88.064061
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -266.437810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.437810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.437810 (E_RNA)
where:
Base-Base interactions energy: -175.104
where: short stacking energy: -79.043
Base-Backbone interact. energy: -0.254
local terms energy: -91.079726
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -263.942886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.942886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.942886 (E_RNA)
where:
Base-Base interactions energy: -177.821
where: short stacking energy: -70.234
Base-Backbone interact. energy: -0.055
local terms energy: -86.067210
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -23.490
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: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -227.978741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.978741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.978741 (E_RNA)
where:
Base-Base interactions energy: -153.596
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.286
local terms energy: -74.097540
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -179.051565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.051565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.051565 (E_RNA)
where:
Base-Base interactions energy: -108.167
where: short stacking energy: -51.798
Base-Backbone interact. energy: -0.116
local terms energy: -70.768383
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -101.286763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.286763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.286763 (E_RNA)
where:
Base-Base interactions energy: -43.114
where: short stacking energy: -20.970
Base-Backbone interact. energy: -0.621
local terms energy: -57.551667
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -12.501
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -85.637589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.637589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.637589 (E_RNA)
where:
Base-Base interactions energy: -33.802
where: short stacking energy: -30.819
Base-Backbone interact. energy: -0.129
local terms energy: -51.705886
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -4.249
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: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -314.775015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.775015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.775015 (E_RNA)
where:
Base-Base interactions energy: -225.750
where: short stacking energy: -89.225
Base-Backbone interact. energy: 0.173
local terms energy: -89.197922
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -13.721
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: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -285.134439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.134439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.134439 (E_RNA)
where:
Base-Base interactions energy: -197.149
where: short stacking energy: -72.965
Base-Backbone interact. energy: -0.028
local terms energy: -87.957629
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -284.088801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.088801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.088801 (E_RNA)
where:
Base-Base interactions energy: -192.030
where: short stacking energy: -79.145
Base-Backbone interact. energy: -0.091
local terms energy: -91.968164
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -25.608
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: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -278.141922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.141922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.141922 (E_RNA)
where:
Base-Base interactions energy: -180.300
where: short stacking energy: -81.010
Base-Backbone interact. energy: -0.074
local terms energy: -97.767823
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -29.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -276.016441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.016441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.016441 (E_RNA)
where:
Base-Base interactions energy: -184.863
where: short stacking energy: -77.143
Base-Backbone interact. energy: -0.068
local terms energy: -91.085119
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -22.911
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: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -256.442383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.442383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.442383 (E_RNA)
where:
Base-Base interactions energy: -168.700
where: short stacking energy: -74.397
Base-Backbone interact. energy: -1.723
local terms energy: -86.019864
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -229.257945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.257945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.257945 (E_RNA)
where:
Base-Base interactions energy: -159.085
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.484
local terms energy: -69.688827
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -224.913152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.913152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.913152 (E_RNA)
where:
Base-Base interactions energy: -148.749
where: short stacking energy: -56.112
Base-Backbone interact. energy: -0.204
local terms energy: -75.959890
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -91.324558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.324558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.324558 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -20.331
Base-Backbone interact. energy: -0.239
local terms energy: -60.147685
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -87.393760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.393760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.393760 (E_RNA)
where:
Base-Base interactions energy: -30.179
where: short stacking energy: -30.879
Base-Backbone interact. energy: 0.891
local terms energy: -58.105696
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -8.984
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: 312
Temperature: 0.900000
Total energy: -321.020511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.020511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.020511 (E_RNA)
where:
Base-Base interactions energy: -236.627
where: short stacking energy: -86.840
Base-Backbone interact. energy: 0.330
local terms energy: -84.723884
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -283.037699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.037699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.037699 (E_RNA)
where:
Base-Base interactions energy: -191.820
where: short stacking energy: -82.138
Base-Backbone interact. energy: -0.071
local terms energy: -91.146686
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -13.984
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: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -270.471825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.471825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.471825 (E_RNA)
where:
Base-Base interactions energy: -182.530
where: short stacking energy: -89.399
Base-Backbone interact. energy: -0.107
local terms energy: -87.834922
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -275.134392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.134392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.134392 (E_RNA)
where:
Base-Base interactions energy: -185.628
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.019
local terms energy: -89.487519
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -12.824
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: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -269.983070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.983070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.983070 (E_RNA)
where:
Base-Base interactions energy: -180.732
where: short stacking energy: -81.934
Base-Backbone interact. energy: -0.021
local terms energy: -89.229780
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -13.782
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: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -246.689138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.689138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.689138 (E_RNA)
where:
Base-Base interactions energy: -168.126
where: short stacking energy: -72.590
Base-Backbone interact. energy: -0.146
local terms energy: -78.416908
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -230.127368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.127368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.127368 (E_RNA)
where:
Base-Base interactions energy: -153.437
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.206
local terms energy: -76.484465
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -221.799288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799288 (E_RNA)
where:
Base-Base interactions energy: -151.809
where: short stacking energy: -61.864
Base-Backbone interact. energy: 2.891
local terms energy: -72.880780
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -96.748577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.748577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.748577 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -37.470
Base-Backbone interact. energy: -0.185
local terms energy: -53.172917
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -92.365056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.365056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.365056 (E_RNA)
where:
Base-Base interactions energy: -25.988
where: short stacking energy: -18.361
Base-Backbone interact. energy: -0.525
local terms energy: -65.852016
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.702
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: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -318.179320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.179320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.179320 (E_RNA)
where:
Base-Base interactions energy: -230.598
where: short stacking energy: -84.180
Base-Backbone interact. energy: 1.241
local terms energy: -88.821997
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -284.258223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.258223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.258223 (E_RNA)
where:
Base-Base interactions energy: -192.072
where: short stacking energy: -82.791
Base-Backbone interact. energy: 0.046
local terms energy: -92.232780
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -12.031
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: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -288.165526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.165526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.165526 (E_RNA)
where:
Base-Base interactions energy: -194.956
where: short stacking energy: -83.024
Base-Backbone interact. energy: -0.108
local terms energy: -93.100659
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -10.380
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: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -275.377056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.377056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.377056 (E_RNA)
where:
Base-Base interactions energy: -180.901
where: short stacking energy: -87.111
Base-Backbone interact. energy: -0.001
local terms energy: -94.475080
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -23.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -271.297755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.297755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.297755 (E_RNA)
where:
Base-Base interactions energy: -180.074
where: short stacking energy: -83.094
Base-Backbone interact. energy: 1.673
local terms energy: -92.896592
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -273.826843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.826843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.826843 (E_RNA)
where:
Base-Base interactions energy: -178.111
where: short stacking energy: -82.126
Base-Backbone interact. energy: -0.045
local terms energy: -95.671727
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -27.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -237.111154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.111154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.111154 (E_RNA)
where:
Base-Base interactions energy: -151.341
where: short stacking energy: -71.845
Base-Backbone interact. energy: -0.231
local terms energy: -85.539711
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -202.811399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.811399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.811399 (E_RNA)
where:
Base-Base interactions energy: -130.536
where: short stacking energy: -59.350
Base-Backbone interact. energy: -0.213
local terms energy: -72.061945
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -10.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -101.271084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.271084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.271084 (E_RNA)
where:
Base-Base interactions energy: -39.336
where: short stacking energy: -34.698
Base-Backbone interact. energy: -0.141
local terms energy: -61.794624
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: 0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -89.515350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.515350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.515350 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -31.532
Base-Backbone interact. energy: -0.756
local terms energy: -52.706855
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: 0.203
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: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -322.656253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.656253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.656253 (E_RNA)
where:
Base-Base interactions energy: -231.247
where: short stacking energy: -81.182
Base-Backbone interact. energy: 0.323
local terms energy: -91.731516
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -294.575734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.575734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.575734 (E_RNA)
where:
Base-Base interactions energy: -193.299
where: short stacking energy: -90.969
Base-Backbone interact. energy: 0.764
local terms energy: -102.040578
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -27.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -292.340936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.340936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.340936 (E_RNA)
where:
Base-Base interactions energy: -206.783
where: short stacking energy: -87.636
Base-Backbone interact. energy: -0.193
local terms energy: -85.364290
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -21.302
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: 4, replica: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -275.196432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.196432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.196432 (E_RNA)
where:
Base-Base interactions energy: -191.078
where: short stacking energy: -80.068
Base-Backbone interact. energy: -0.039
local terms energy: -84.079384
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -263.199143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.199143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.199143 (E_RNA)
where:
Base-Base interactions energy: -172.628
where: short stacking energy: -80.903
Base-Backbone interact. energy: 3.865
local terms energy: -94.436065
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -26.753
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: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -263.611756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.611756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.611756 (E_RNA)
where:
Base-Base interactions energy: -173.697
where: short stacking energy: -85.221
Base-Backbone interact. energy: -0.005
local terms energy: -89.909972
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -28.586
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: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -246.047798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.047798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.047798 (E_RNA)
where:
Base-Base interactions energy: -161.126
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.106
local terms energy: -84.814893
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -23.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -195.803419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.803419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.803419 (E_RNA)
where:
Base-Base interactions energy: -138.848
where: short stacking energy: -62.603
Base-Backbone interact. energy: -0.428
local terms energy: -56.527886
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -3.148
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -85.408850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.408850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.408850 (E_RNA)
where:
Base-Base interactions energy: -35.108
where: short stacking energy: -35.108
Base-Backbone interact. energy: -0.283
local terms energy: -50.018272
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -8.141
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: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -87.796401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.796401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.796401 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -32.626
Base-Backbone interact. energy: 0.758
local terms energy: -54.020036
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -7.971
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: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -324.652236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.652236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.652236 (E_RNA)
where:
Base-Base interactions energy: -232.592
where: short stacking energy: -88.552
Base-Backbone interact. energy: 0.845
local terms energy: -92.904949
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -14.084
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: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -287.604571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.604571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.604571 (E_RNA)
where:
Base-Base interactions energy: -194.301
where: short stacking energy: -85.828
Base-Backbone interact. energy: -0.119
local terms energy: -93.184320
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -24.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -286.445394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.445394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.445394 (E_RNA)
where:
Base-Base interactions energy: -202.724
where: short stacking energy: -83.663
Base-Backbone interact. energy: -0.012
local terms energy: -83.709973
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -25.468
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: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -270.937434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.937434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.937434 (E_RNA)
where:
Base-Base interactions energy: -173.598
where: short stacking energy: -82.913
Base-Backbone interact. energy: -0.212
local terms energy: -97.126835
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -273.114469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.114469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.114469 (E_RNA)
where:
Base-Base interactions energy: -187.030
where: short stacking energy: -78.038
Base-Backbone interact. energy: -0.092
local terms energy: -85.992560
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -23.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -256.553401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.553401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.553401 (E_RNA)
where:
Base-Base interactions energy: -167.038
where: short stacking energy: -79.809
Base-Backbone interact. energy: -0.183
local terms energy: -89.332756
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -9.266
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: 7, replica: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -233.217173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.217173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.217173 (E_RNA)
where:
Base-Base interactions energy: -162.225
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.192
local terms energy: -70.799827
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.376
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: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -210.792364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.792364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.792364 (E_RNA)
where:
Base-Base interactions energy: -136.026
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.278
local terms energy: -74.487972
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -19.926
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: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -97.726167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.726167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.726167 (E_RNA)
where:
Base-Base interactions energy: -38.834
where: short stacking energy: -35.528
Base-Backbone interact. energy: -0.456
local terms energy: -58.436495
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -1.164
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: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -89.023134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.023134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.023134 (E_RNA)
where:
Base-Base interactions energy: -36.185
where: short stacking energy: -24.222
Base-Backbone interact. energy: -1.273
local terms energy: -51.565321
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: 1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -306.443304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.443304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.443304 (E_RNA)
where:
Base-Base interactions energy: -212.613
where: short stacking energy: -85.478
Base-Backbone interact. energy: -0.134
local terms energy: -93.696331
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -11.268
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: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -284.455433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.455433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.455433 (E_RNA)
where:
Base-Base interactions energy: -192.912
where: short stacking energy: -83.525
Base-Backbone interact. energy: -0.007
local terms energy: -91.536481
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -277.890091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.890091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.890091 (E_RNA)
where:
Base-Base interactions energy: -177.178
where: short stacking energy: -85.338
Base-Backbone interact. energy: -1.012
local terms energy: -99.700388
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -26.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -301.761517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.761517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.761517 (E_RNA)
where:
Base-Base interactions energy: -203.694
where: short stacking energy: -89.349
Base-Backbone interact. energy: -0.011
local terms energy: -98.057027
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -25.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -241.738569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.738569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.738569 (E_RNA)
where:
Base-Base interactions energy: -167.600
where: short stacking energy: -78.323
Base-Backbone interact. energy: -0.091
local terms energy: -74.048143
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -277.157533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.157533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.157533 (E_RNA)
where:
Base-Base interactions energy: -193.086
where: short stacking energy: -80.578
Base-Backbone interact. energy: 0.491
local terms energy: -84.561916
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -21.965
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: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -246.327765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.327765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.327765 (E_RNA)
where:
Base-Base interactions energy: -165.689
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.034
local terms energy: -80.604463
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -199.936705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.936705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.936705 (E_RNA)
where:
Base-Base interactions energy: -135.792
where: short stacking energy: -53.872
Base-Backbone interact. energy: 0.197
local terms energy: -64.341726
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -85.111582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.111582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.111582 (E_RNA)
where:
Base-Base interactions energy: -29.806
where: short stacking energy: -23.521
Base-Backbone interact. energy: -0.976
local terms energy: -54.330058
where:
bonds (distance) C4'-P energy: -8.135
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -2.033
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: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -84.028242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.028242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.028242 (E_RNA)
where:
Base-Base interactions energy: -27.321
where: short stacking energy: -27.321
Base-Backbone interact. energy: -0.287
local terms energy: -56.419737
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.810
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: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -303.532197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.532197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.532197 (E_RNA)
where:
Base-Base interactions energy: -212.990
where: short stacking energy: -81.131
Base-Backbone interact. energy: -0.191
local terms energy: -90.350868
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -286.835034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.835034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.835034 (E_RNA)
where:
Base-Base interactions energy: -188.629
where: short stacking energy: -88.960
Base-Backbone interact. energy: -0.031
local terms energy: -98.175351
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -27.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -266.350114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.350114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.350114 (E_RNA)
where:
Base-Base interactions energy: -178.527
where: short stacking energy: -78.059
Base-Backbone interact. energy: -1.592
local terms energy: -86.230729
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -274.283113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.283113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.283113 (E_RNA)
where:
Base-Base interactions energy: -183.569
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.397
local terms energy: -90.316806
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -244.950418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.950418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.950418 (E_RNA)
where:
Base-Base interactions energy: -160.941
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.107
local terms energy: -83.902261
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.578
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: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -263.582232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.582232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.582232 (E_RNA)
where:
Base-Base interactions energy: -175.445
where: short stacking energy: -70.132
Base-Backbone interact. energy: -0.109
local terms energy: -88.028047
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -23.702
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: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -232.903763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.903763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.903763 (E_RNA)
where:
Base-Base interactions energy: -150.408
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.928
local terms energy: -81.567969
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -22.512
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: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -214.361982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.361982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.361982 (E_RNA)
where:
Base-Base interactions energy: -142.591
where: short stacking energy: -61.768
Base-Backbone interact. energy: -0.157
local terms energy: -71.614293
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -13.898
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: 317
Temperature: 1.300000
Total energy: -94.534595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.534595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.534595 (E_RNA)
where:
Base-Base interactions energy: -40.281
where: short stacking energy: -29.950
Base-Backbone interact. energy: -0.302
local terms energy: -53.952127
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -91.189564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.189564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.189564 (E_RNA)
where:
Base-Base interactions energy: -29.710
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.151
local terms energy: -61.327781
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -286.528745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.528745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.528745 (E_RNA)
where:
Base-Base interactions energy: -190.116
where: short stacking energy: -82.931
Base-Backbone interact. energy: -0.541
local terms energy: -95.872048
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -301.333413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.333413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.333413 (E_RNA)
where:
Base-Base interactions energy: -209.726
where: short stacking energy: -79.603
Base-Backbone interact. energy: -0.057
local terms energy: -91.551156
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -23.194
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: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -276.630800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.630800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.630800 (E_RNA)
where:
Base-Base interactions energy: -181.866
where: short stacking energy: -78.207
Base-Backbone interact. energy: -0.126
local terms energy: -94.638829
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -22.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -240.507265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.507265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.507265 (E_RNA)
where:
Base-Base interactions energy: -158.810
where: short stacking energy: -57.313
Base-Backbone interact. energy: -0.760
local terms energy: -80.937292
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -268.625140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.625140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.625140 (E_RNA)
where:
Base-Base interactions energy: -186.955
where: short stacking energy: -83.529
Base-Backbone interact. energy: -0.402
local terms energy: -81.268323
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -261.372071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.372071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.372071 (E_RNA)
where:
Base-Base interactions energy: -168.296
where: short stacking energy: -74.999
Base-Backbone interact. energy: -0.172
local terms energy: -92.904517
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -26.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -235.360432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.360432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.360432 (E_RNA)
where:
Base-Base interactions energy: -156.970
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.127
local terms energy: -78.262790
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -15.739
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: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -231.299310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.299310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.299310 (E_RNA)
where:
Base-Base interactions energy: -148.917
where: short stacking energy: -63.997
Base-Backbone interact. energy: -0.025
local terms energy: -82.357401
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -18.670
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: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -102.347196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.347196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.347196 (E_RNA)
where:
Base-Base interactions energy: -46.626
where: short stacking energy: -30.498
Base-Backbone interact. energy: -2.298
local terms energy: -53.422891
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -81.656946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.656946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.656946 (E_RNA)
where:
Base-Base interactions energy: -32.749
where: short stacking energy: -16.338
Base-Backbone interact. energy: -0.464
local terms energy: -48.444122
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: 2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -279.044792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.044792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.044792 (E_RNA)
where:
Base-Base interactions energy: -189.548
where: short stacking energy: -83.834
Base-Backbone interact. energy: -0.131
local terms energy: -89.366114
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -22.332
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: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -284.309072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.309072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.309072 (E_RNA)
where:
Base-Base interactions energy: -191.802
where: short stacking energy: -77.629
Base-Backbone interact. energy: 1.120
local terms energy: -93.626480
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -22.169
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: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -295.701353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.701353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.701353 (E_RNA)
where:
Base-Base interactions energy: -213.765
where: short stacking energy: -78.127
Base-Backbone interact. energy: -0.520
local terms energy: -81.416333
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -8.692
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: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -281.626440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.626440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.626440 (E_RNA)
where:
Base-Base interactions energy: -198.213
where: short stacking energy: -80.390
Base-Backbone interact. energy: 0.187
local terms energy: -83.599565
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -23.650
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: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -259.624324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.624324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.624324 (E_RNA)
where:
Base-Base interactions energy: -175.527
where: short stacking energy: -72.578
Base-Backbone interact. energy: -0.288
local terms energy: -83.809078
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -8.115
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: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -255.192342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.192342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.192342 (E_RNA)
where:
Base-Base interactions energy: -164.202
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.029
local terms energy: -90.960577
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -256.892445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.892445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.892445 (E_RNA)
where:
Base-Base interactions energy: -168.593
where: short stacking energy: -70.935
Base-Backbone interact. energy: -0.165
local terms energy: -88.134973
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -234.020008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.020008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.020008 (E_RNA)
where:
Base-Base interactions energy: -161.080
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.830
local terms energy: -72.109720
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -98.182010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.182010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.182010 (E_RNA)
where:
Base-Base interactions energy: -40.095
where: short stacking energy: -36.704
Base-Backbone interact. energy: -0.112
local terms energy: -57.974199
where:
bonds (distance) C4'-P energy: -9.617
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -13.093
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: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -90.544372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.544372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.544372 (E_RNA)
where:
Base-Base interactions energy: -34.387
where: short stacking energy: -27.614
Base-Backbone interact. energy: -0.269
local terms energy: -55.888052
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -286.954842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.954842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.954842 (E_RNA)
where:
Base-Base interactions energy: -196.333
where: short stacking energy: -79.114
Base-Backbone interact. energy: -0.072
local terms energy: -90.549434
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -279.817911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.817911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.817911 (E_RNA)
where:
Base-Base interactions energy: -188.224
where: short stacking energy: -92.371
Base-Backbone interact. energy: -0.029
local terms energy: -91.564753
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -288.178980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.178980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.178980 (E_RNA)
where:
Base-Base interactions energy: -200.958
where: short stacking energy: -77.587
Base-Backbone interact. energy: -0.528
local terms energy: -86.692445
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -270.814510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.814510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.814510 (E_RNA)
where:
Base-Base interactions energy: -183.873
where: short stacking energy: -75.577
Base-Backbone interact. energy: 0.113
local terms energy: -87.054514
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -11.569
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: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -262.430274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.430274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.430274 (E_RNA)
where:
Base-Base interactions energy: -179.348
where: short stacking energy: -75.595
Base-Backbone interact. energy: -0.078
local terms energy: -83.003763
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -14.397
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: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -264.043621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.043621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.043621 (E_RNA)
where:
Base-Base interactions energy: -189.581
where: short stacking energy: -82.783
Base-Backbone interact. energy: 0.155
local terms energy: -74.618084
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -237.266910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.266910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.266910 (E_RNA)
where:
Base-Base interactions energy: -154.142
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.011
local terms energy: -83.113695
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -14.186
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: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -227.521046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.521046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.521046 (E_RNA)
where:
Base-Base interactions energy: -147.213
where: short stacking energy: -64.928
Base-Backbone interact. energy: -0.707
local terms energy: -79.601257
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -85.686821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.686821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.686821 (E_RNA)
where:
Base-Base interactions energy: -19.395
where: short stacking energy: -14.983
Base-Backbone interact. energy: -0.190
local terms energy: -66.101752
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -92.865526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.865526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.865526 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -34.622
Base-Backbone interact. energy: -0.185
local terms energy: -54.661358
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -289.942292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.942292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.942292 (E_RNA)
where:
Base-Base interactions energy: -196.283
where: short stacking energy: -78.838
Base-Backbone interact. energy: -0.088
local terms energy: -93.571717
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -21.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -287.094299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.094299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.094299 (E_RNA)
where:
Base-Base interactions energy: -198.365
where: short stacking energy: -74.767
Base-Backbone interact. energy: -0.208
local terms energy: -88.520879
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -285.678694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.678694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.678694 (E_RNA)
where:
Base-Base interactions energy: -189.494
where: short stacking energy: -78.954
Base-Backbone interact. energy: -0.125
local terms energy: -96.059586
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -24.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -268.840547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.840547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.840547 (E_RNA)
where:
Base-Base interactions energy: -184.945
where: short stacking energy: -81.644
Base-Backbone interact. energy: -0.237
local terms energy: -83.658920
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -270.391647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.391647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.391647 (E_RNA)
where:
Base-Base interactions energy: -176.389
where: short stacking energy: -79.236
Base-Backbone interact. energy: -0.034
local terms energy: -93.968344
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -26.273
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: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -265.550897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.550897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.550897 (E_RNA)
where:
Base-Base interactions energy: -184.371
where: short stacking energy: -75.771
Base-Backbone interact. energy: -0.070
local terms energy: -81.110767
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -253.684753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.684753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.684753 (E_RNA)
where:
Base-Base interactions energy: -168.531
where: short stacking energy: -74.596
Base-Backbone interact. energy: 0.427
local terms energy: -85.580845
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -234.725413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.725413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.725413 (E_RNA)
where:
Base-Base interactions energy: -157.006
where: short stacking energy: -69.608
Base-Backbone interact. energy: 0.521
local terms energy: -78.240164
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -101.013681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.013681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.013681 (E_RNA)
where:
Base-Base interactions energy: -45.894
where: short stacking energy: -27.171
Base-Backbone interact. energy: 0.250
local terms energy: -55.369242
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: 0.792
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: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -85.113720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.113720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.113720 (E_RNA)
where:
Base-Base interactions energy: -43.838
where: short stacking energy: -43.838
Base-Backbone interact. energy: -0.418
local terms energy: -40.857975
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -7.233
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: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -303.104340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.104340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.104340 (E_RNA)
where:
Base-Base interactions energy: -217.148
where: short stacking energy: -81.020
Base-Backbone interact. energy: -0.198
local terms energy: -85.758411
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -19.572
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -288.285373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.285373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.285373 (E_RNA)
where:
Base-Base interactions energy: -194.839
where: short stacking energy: -80.467
Base-Backbone interact. energy: -0.094
local terms energy: -93.352216
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -281.655049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.655049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.655049 (E_RNA)
where:
Base-Base interactions energy: -189.429
where: short stacking energy: -81.382
Base-Backbone interact. energy: -0.018
local terms energy: -92.207526
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -257.273976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.273976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.273976 (E_RNA)
where:
Base-Base interactions energy: -163.349
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.004
local terms energy: -93.920727
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -263.397608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.397608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.397608 (E_RNA)
where:
Base-Base interactions energy: -174.253
where: short stacking energy: -76.558
Base-Backbone interact. energy: -0.221
local terms energy: -88.923080
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -261.302863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.302863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.302863 (E_RNA)
where:
Base-Base interactions energy: -177.256
where: short stacking energy: -89.360
Base-Backbone interact. energy: 0.847
local terms energy: -84.894220
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -248.955671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.955671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.955671 (E_RNA)
where:
Base-Base interactions energy: -166.276
where: short stacking energy: -73.784
Base-Backbone interact. energy: -0.357
local terms energy: -82.322085
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -215.788590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.788590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.788590 (E_RNA)
where:
Base-Base interactions energy: -143.390
where: short stacking energy: -56.377
Base-Backbone interact. energy: -0.356
local terms energy: -72.042469
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -161.913072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.913072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.913072 (E_RNA)
where:
Base-Base interactions energy: -98.255
where: short stacking energy: -42.380
Base-Backbone interact. energy: -0.359
local terms energy: -63.299032
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -116.449065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.449065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.449065 (E_RNA)
where:
Base-Base interactions energy: -66.135
where: short stacking energy: -27.659
Base-Backbone interact. energy: -0.332
local terms energy: -49.982120
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -2.378
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: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -300.984546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.984546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.984546 (E_RNA)
where:
Base-Base interactions energy: -210.987
where: short stacking energy: -77.296
Base-Backbone interact. energy: -0.375
local terms energy: -89.622032
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -292.122905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.122905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.122905 (E_RNA)
where:
Base-Base interactions energy: -199.259
where: short stacking energy: -89.697
Base-Backbone interact. energy: -0.224
local terms energy: -92.639313
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -282.649031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.649031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.649031 (E_RNA)
where:
Base-Base interactions energy: -185.032
where: short stacking energy: -83.485
Base-Backbone interact. energy: -0.347
local terms energy: -97.269123
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -252.277597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.277597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.277597 (E_RNA)
where:
Base-Base interactions energy: -175.116
where: short stacking energy: -67.119
Base-Backbone interact. energy: 0.465
local terms energy: -77.626215
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -254.458727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.458727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.458727 (E_RNA)
where:
Base-Base interactions energy: -181.969
where: short stacking energy: -69.448
Base-Backbone interact. energy: -0.051
local terms energy: -72.439190
where:
bonds (distance) C4'-P energy: -7.022
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -19.272
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: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -240.035508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.035508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.035508 (E_RNA)
where:
Base-Base interactions energy: -155.404
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.028
local terms energy: -84.603669
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -23.646
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: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -237.455921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.455921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.455921 (E_RNA)
where:
Base-Base interactions energy: -160.119
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.293
local terms energy: -77.043594
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -17.076
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: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -166.410184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.410184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.410184 (E_RNA)
where:
Base-Base interactions energy: -98.185
where: short stacking energy: -45.137
Base-Backbone interact. energy: -0.083
local terms energy: -68.141665
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -218.294500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.294500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.294500 (E_RNA)
where:
Base-Base interactions energy: -141.841
where: short stacking energy: -65.293
Base-Backbone interact. energy: -0.076
local terms energy: -76.377433
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -19.138
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: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -95.226544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.226544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.226544 (E_RNA)
where:
Base-Base interactions energy: -34.720
where: short stacking energy: -34.720
Base-Backbone interact. energy: -0.250
local terms energy: -60.257124
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -5.860
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: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -295.202331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.202331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.202331 (E_RNA)
where:
Base-Base interactions energy: -208.523
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.838
local terms energy: -85.841175
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.389
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: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -293.568126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.568126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.568126 (E_RNA)
where:
Base-Base interactions energy: -205.865
where: short stacking energy: -79.191
Base-Backbone interact. energy: -0.115
local terms energy: -87.587795
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -251.402624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.402624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.402624 (E_RNA)
where:
Base-Base interactions energy: -167.130
where: short stacking energy: -79.469
Base-Backbone interact. energy: -0.013
local terms energy: -84.259006
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -271.165789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.165789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.165789 (E_RNA)
where:
Base-Base interactions energy: -180.682
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.125
local terms energy: -90.357959
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -269.141886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.141886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.141886 (E_RNA)
where:
Base-Base interactions energy: -176.968
where: short stacking energy: -85.673
Base-Backbone interact. energy: -0.008
local terms energy: -92.166338
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -27.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -232.916276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.916276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.916276 (E_RNA)
where:
Base-Base interactions energy: -154.076
where: short stacking energy: -63.560
Base-Backbone interact. energy: -0.168
local terms energy: -78.671861
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -13.301
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: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -239.826101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.826101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.826101 (E_RNA)
where:
Base-Base interactions energy: -159.037
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.582
local terms energy: -80.207803
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -19.056
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: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -154.340804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.340804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.340804 (E_RNA)
where:
Base-Base interactions energy: -100.072
where: short stacking energy: -37.964
Base-Backbone interact. energy: 0.558
local terms energy: -54.827302
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -6.172
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: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -218.935830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.935830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.935830 (E_RNA)
where:
Base-Base interactions energy: -135.688
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.330
local terms energy: -82.917576
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -90.758425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.758425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.758425 (E_RNA)
where:
Base-Base interactions energy: -37.829
where: short stacking energy: -34.736
Base-Backbone interact. energy: 2.220
local terms energy: -55.148595
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -294.946609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.946609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.946609 (E_RNA)
where:
Base-Base interactions energy: -202.201
where: short stacking energy: -82.596
Base-Backbone interact. energy: 0.135
local terms energy: -92.880079
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -21.700
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: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -284.388574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.388574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.388574 (E_RNA)
where:
Base-Base interactions energy: -198.782
where: short stacking energy: -76.204
Base-Backbone interact. energy: -0.105
local terms energy: -85.501456
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -281.432913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.432913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.432913 (E_RNA)
where:
Base-Base interactions energy: -187.051
where: short stacking energy: -82.829
Base-Backbone interact. energy: -0.075
local terms energy: -94.306962
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -267.712891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.712891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.712891 (E_RNA)
where:
Base-Base interactions energy: -177.350
where: short stacking energy: -81.853
Base-Backbone interact. energy: -0.109
local terms energy: -90.254507
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -8.955
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: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -263.287585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.287585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.287585 (E_RNA)
where:
Base-Base interactions energy: -169.532
where: short stacking energy: -74.750
Base-Backbone interact. energy: -0.047
local terms energy: -93.708041
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -229.311488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.311488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.311488 (E_RNA)
where:
Base-Base interactions energy: -152.538
where: short stacking energy: -69.923
Base-Backbone interact. energy: 0.084
local terms energy: -76.857650
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -6.942
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: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -228.677648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.677648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.677648 (E_RNA)
where:
Base-Base interactions energy: -149.246
where: short stacking energy: -62.808
Base-Backbone interact. energy: 0.681
local terms energy: -80.112016
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -222.455327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.455327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.455327 (E_RNA)
where:
Base-Base interactions energy: -146.602
where: short stacking energy: -59.527
Base-Backbone interact. energy: -0.105
local terms energy: -75.748382
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -145.611349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.611349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.611349 (E_RNA)
where:
Base-Base interactions energy: -77.132
where: short stacking energy: -42.061
Base-Backbone interact. energy: -0.188
local terms energy: -68.291286
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -90.477530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.477530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.477530 (E_RNA)
where:
Base-Base interactions energy: -33.022
where: short stacking energy: -27.002
Base-Backbone interact. energy: 0.034
local terms energy: -57.489543
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -287.437398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.437398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.437398 (E_RNA)
where:
Base-Base interactions energy: -191.302
where: short stacking energy: -81.277
Base-Backbone interact. energy: -0.094
local terms energy: -96.040882
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -23.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -291.919989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.919989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.919989 (E_RNA)
where:
Base-Base interactions energy: -203.834
where: short stacking energy: -83.171
Base-Backbone interact. energy: -0.074
local terms energy: -88.012058
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -22.094
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: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -281.953336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.953336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.953336 (E_RNA)
where:
Base-Base interactions energy: -186.514
where: short stacking energy: -86.273
Base-Backbone interact. energy: -0.001
local terms energy: -95.438326
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -277.716177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.716177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.716177 (E_RNA)
where:
Base-Base interactions energy: -186.895
where: short stacking energy: -82.331
Base-Backbone interact. energy: -0.167
local terms energy: -90.655019
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -24.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -227.250579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.250579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.250579 (E_RNA)
where:
Base-Base interactions energy: -143.786
where: short stacking energy: -75.982
Base-Backbone interact. energy: -0.035
local terms energy: -83.429538
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -23.512
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: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -259.008741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.008741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.008741 (E_RNA)
where:
Base-Base interactions energy: -182.786
where: short stacking energy: -76.597
Base-Backbone interact. energy: -0.031
local terms energy: -76.191226
where:
bonds (distance) C4'-P energy: -8.226
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -25.117
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: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -240.941216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.941216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.941216 (E_RNA)
where:
Base-Base interactions energy: -160.400
where: short stacking energy: -67.180
Base-Backbone interact. energy: 1.107
local terms energy: -81.647883
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -224.518326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.518326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.518326 (E_RNA)
where:
Base-Base interactions energy: -152.023
where: short stacking energy: -64.248
Base-Backbone interact. energy: -0.059
local terms energy: -72.436260
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -152.292235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.292235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.292235 (E_RNA)
where:
Base-Base interactions energy: -79.111
where: short stacking energy: -41.663
Base-Backbone interact. energy: -0.202
local terms energy: -72.979775
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -99.885567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.885567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.885567 (E_RNA)
where:
Base-Base interactions energy: -36.403
where: short stacking energy: -33.919
Base-Backbone interact. energy: -0.404
local terms energy: -63.077881
where:
bonds (distance) C4'-P energy: -8.561
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -12.749
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: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -287.798815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.798815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.798815 (E_RNA)
where:
Base-Base interactions energy: -191.019
where: short stacking energy: -84.892
Base-Backbone interact. energy: -0.016
local terms energy: -96.764163
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -20.108
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -28.026
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: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -294.480583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.480583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.480583 (E_RNA)
where:
Base-Base interactions energy: -206.617
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.288
local terms energy: -87.574928
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -275.241543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.241543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.241543 (E_RNA)
where:
Base-Base interactions energy: -175.119
where: short stacking energy: -74.937
Base-Backbone interact. energy: -0.308
local terms energy: -99.814213
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -15.502
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: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -228.725583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.725583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.725583 (E_RNA)
where:
Base-Base interactions energy: -150.147
where: short stacking energy: -71.901
Base-Backbone interact. energy: -0.292
local terms energy: -78.286834
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -274.526676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.526676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.526676 (E_RNA)
where:
Base-Base interactions energy: -182.258
where: short stacking energy: -76.878
Base-Backbone interact. energy: -0.121
local terms energy: -92.147197
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -263.543656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.543656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.543656 (E_RNA)
where:
Base-Base interactions energy: -170.509
where: short stacking energy: -76.306
Base-Backbone interact. energy: -1.456
local terms energy: -91.578830
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -240.291145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.291145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.291145 (E_RNA)
where:
Base-Base interactions energy: -168.744
where: short stacking energy: -64.847
Base-Backbone interact. energy: -0.083
local terms energy: -71.463461
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -221.567853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.567853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.567853 (E_RNA)
where:
Base-Base interactions energy: -140.565
where: short stacking energy: -55.553
Base-Backbone interact. energy: -0.090
local terms energy: -80.912322
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -15.426
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: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -90.215804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.215804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.215804 (E_RNA)
where:
Base-Base interactions energy: -36.259
where: short stacking energy: -27.213
Base-Backbone interact. energy: -0.041
local terms energy: -53.915468
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: 0.257
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: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -97.332845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.332845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.332845 (E_RNA)
where:
Base-Base interactions energy: -28.032
where: short stacking energy: -23.068
Base-Backbone interact. energy: -0.581
local terms energy: -68.719438
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -11.691
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: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -288.180136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.180136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.180136 (E_RNA)
where:
Base-Base interactions energy: -192.384
where: short stacking energy: -86.093
Base-Backbone interact. energy: -0.104
local terms energy: -95.691867
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -27.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -292.794626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.794626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.794626 (E_RNA)
where:
Base-Base interactions energy: -201.406
where: short stacking energy: -76.343
Base-Backbone interact. energy: -0.221
local terms energy: -91.166789
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -253.473554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.473554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.473554 (E_RNA)
where:
Base-Base interactions energy: -169.998
where: short stacking energy: -71.182
Base-Backbone interact. energy: -0.262
local terms energy: -83.213542
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -264.706922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.706922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.706922 (E_RNA)
where:
Base-Base interactions energy: -177.995
where: short stacking energy: -76.618
Base-Backbone interact. energy: -0.018
local terms energy: -86.693674
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -25.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -241.856906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.856906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.856906 (E_RNA)
where:
Base-Base interactions energy: -157.867
where: short stacking energy: -67.083
Base-Backbone interact. energy: -0.014
local terms energy: -83.976447
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -20.880
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: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -248.717045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.717045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.717045 (E_RNA)
where:
Base-Base interactions energy: -176.037
where: short stacking energy: -70.938
Base-Backbone interact. energy: -0.150
local terms energy: -72.530079
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -7.529
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -14.964
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: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -232.008739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.008739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.008739 (E_RNA)
where:
Base-Base interactions energy: -148.468
where: short stacking energy: -69.678
Base-Backbone interact. energy: -0.271
local terms energy: -83.269484
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -21.850
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -225.632700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.632700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.632700 (E_RNA)
where:
Base-Base interactions energy: -149.697
where: short stacking energy: -64.214
Base-Backbone interact. energy: -0.021
local terms energy: -75.914464
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -12.107
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: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -89.800993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.800993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.800993 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.542
local terms energy: -52.066562
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: 1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -89.450325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.450325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.450325 (E_RNA)
where:
Base-Base interactions energy: -27.983
where: short stacking energy: -22.784
Base-Backbone interact. energy: -1.281
local terms energy: -60.186824
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.814
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: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -305.730028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.730028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.730028 (E_RNA)
where:
Base-Base interactions energy: -209.170
where: short stacking energy: -84.180
Base-Backbone interact. energy: 0.318
local terms energy: -96.877952
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -24.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -288.748184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.748184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.748184 (E_RNA)
where:
Base-Base interactions energy: -198.826
where: short stacking energy: -82.153
Base-Backbone interact. energy: -0.201
local terms energy: -89.721668
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -254.572911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.572911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.572911 (E_RNA)
where:
Base-Base interactions energy: -165.684
where: short stacking energy: -75.962
Base-Backbone interact. energy: -0.237
local terms energy: -88.651759
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -8.663
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: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -272.804257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.804257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.804257 (E_RNA)
where:
Base-Base interactions energy: -189.797
where: short stacking energy: -80.821
Base-Backbone interact. energy: -0.469
local terms energy: -82.538298
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -24.111
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: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -238.608212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.608212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.608212 (E_RNA)
where:
Base-Base interactions energy: -156.580
where: short stacking energy: -73.568
Base-Backbone interact. energy: -0.086
local terms energy: -81.941404
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -272.065757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.065757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.065757 (E_RNA)
where:
Base-Base interactions energy: -194.736
where: short stacking energy: -79.922
Base-Backbone interact. energy: 0.925
local terms energy: -78.255411
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -5.826
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: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -236.881195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.881195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.881195 (E_RNA)
where:
Base-Base interactions energy: -156.298
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.008
local terms energy: -80.575830
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -218.739000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.739000 (E_RNA)
where:
Base-Base interactions energy: -140.575
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.161
local terms energy: -78.003609
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -17.664
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: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -95.775691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.775691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.775691 (E_RNA)
where:
Base-Base interactions energy: -46.784
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.171
local terms energy: -48.820657
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: 1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -85.111592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.111592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.111592 (E_RNA)
where:
Base-Base interactions energy: -24.159
where: short stacking energy: -23.509
Base-Backbone interact. energy: -0.195
local terms energy: -60.757629
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -0.443
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: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -291.637758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.637758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.637758 (E_RNA)
where:
Base-Base interactions energy: -193.997
where: short stacking energy: -84.347
Base-Backbone interact. energy: -0.328
local terms energy: -97.312346
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -24.446
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: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -291.072950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.072950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.072950 (E_RNA)
where:
Base-Base interactions energy: -199.988
where: short stacking energy: -73.231
Base-Backbone interact. energy: -0.126
local terms energy: -90.959568
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -20.314
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: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -294.173800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.173800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.173800 (E_RNA)
where:
Base-Base interactions energy: -203.789
where: short stacking energy: -87.026
Base-Backbone interact. energy: -0.101
local terms energy: -90.283666
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -24.689
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: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -251.496983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.496983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.496983 (E_RNA)
where:
Base-Base interactions energy: -160.936
where: short stacking energy: -80.764
Base-Backbone interact. energy: -0.017
local terms energy: -90.544290
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -278.348331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.348331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.348331 (E_RNA)
where:
Base-Base interactions energy: -178.370
where: short stacking energy: -84.707
Base-Backbone interact. energy: -0.006
local terms energy: -99.972944
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -27.900
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: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -256.985755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.985755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.985755 (E_RNA)
where:
Base-Base interactions energy: -176.672
where: short stacking energy: -72.197
Base-Backbone interact. energy: -0.742
local terms energy: -79.571365
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -219.852985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.852985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.852985 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -59.297
Base-Backbone interact. energy: 1.703
local terms energy: -78.080203
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -231.273429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.273429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.273429 (E_RNA)
where:
Base-Base interactions energy: -154.427
where: short stacking energy: -68.923
Base-Backbone interact. energy: 1.889
local terms energy: -78.735438
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -138.452762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.452762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.452762 (E_RNA)
where:
Base-Base interactions energy: -71.657
where: short stacking energy: -50.929
Base-Backbone interact. energy: -0.091
local terms energy: -66.703982
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -9.772
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: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -88.649850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649850 (E_RNA)
where:
Base-Base interactions energy: -26.840
where: short stacking energy: -24.025
Base-Backbone interact. energy: -0.019
local terms energy: -61.790441
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -296.666150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.666150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.666150 (E_RNA)
where:
Base-Base interactions energy: -194.313
where: short stacking energy: -83.965
Base-Backbone interact. energy: -0.195
local terms energy: -102.157772
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -26.850
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: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -289.500371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.500371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.500371 (E_RNA)
where:
Base-Base interactions energy: -200.091
where: short stacking energy: -77.538
Base-Backbone interact. energy: -0.060
local terms energy: -89.349629
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -299.156417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.156417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.156417 (E_RNA)
where:
Base-Base interactions energy: -207.832
where: short stacking energy: -87.267
Base-Backbone interact. energy: 3.979
local terms energy: -95.303298
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -276.030926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.030926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.030926 (E_RNA)
where:
Base-Base interactions energy: -200.993
where: short stacking energy: -80.866
Base-Backbone interact. energy: -0.084
local terms energy: -74.953536
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -238.929388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.929388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.929388 (E_RNA)
where:
Base-Base interactions energy: -148.851
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.339
local terms energy: -89.738958
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -20.525
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: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -230.789385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.789385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.789385 (E_RNA)
where:
Base-Base interactions energy: -145.554
where: short stacking energy: -66.650
Base-Backbone interact. energy: -0.165
local terms energy: -85.071082
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -235.023694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.023694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.023694 (E_RNA)
where:
Base-Base interactions energy: -153.151
where: short stacking energy: -69.323
Base-Backbone interact. energy: -0.011
local terms energy: -81.861883
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -249.283368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.283368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.283368 (E_RNA)
where:
Base-Base interactions energy: -174.611
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.109
local terms energy: -74.563419
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -174.564000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.564000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.564000 (E_RNA)
where:
Base-Base interactions energy: -110.378
where: short stacking energy: -43.401
Base-Backbone interact. energy: -0.448
local terms energy: -63.737877
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.908
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: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -83.454675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.454675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.454675 (E_RNA)
where:
Base-Base interactions energy: -24.766
where: short stacking energy: -24.766
Base-Backbone interact. energy: -0.041
local terms energy: -58.647017
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -3.217
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: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -285.865802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.865802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.865802 (E_RNA)
where:
Base-Base interactions energy: -192.531
where: short stacking energy: -84.440
Base-Backbone interact. energy: 1.400
local terms energy: -94.734755
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -21.408
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -286.672050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.672050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.672050 (E_RNA)
where:
Base-Base interactions energy: -193.024
where: short stacking energy: -80.676
Base-Backbone interact. energy: 0.287
local terms energy: -93.934827
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -24.718
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: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -308.097168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.097168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.097168 (E_RNA)
where:
Base-Base interactions energy: -220.203
where: short stacking energy: -79.980
Base-Backbone interact. energy: 0.889
local terms energy: -88.782720
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -21.579
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: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -275.873408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.873408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.873408 (E_RNA)
where:
Base-Base interactions energy: -180.855
where: short stacking energy: -90.210
Base-Backbone interact. energy: -0.005
local terms energy: -95.013434
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -29.945
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: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -238.238183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.238183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.238183 (E_RNA)
where:
Base-Base interactions energy: -153.163
where: short stacking energy: -77.273
Base-Backbone interact. energy: -0.165
local terms energy: -84.909865
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -22.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -231.158164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.158164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.158164 (E_RNA)
where:
Base-Base interactions energy: -154.546
where: short stacking energy: -69.668
Base-Backbone interact. energy: -0.317
local terms energy: -76.295570
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -19.240
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: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -243.048471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.048471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.048471 (E_RNA)
where:
Base-Base interactions energy: -157.962
where: short stacking energy: -54.870
Base-Backbone interact. energy: -0.192
local terms energy: -84.894785
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -242.356867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.356867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.356867 (E_RNA)
where:
Base-Base interactions energy: -156.906
where: short stacking energy: -63.945
Base-Backbone interact. energy: -0.156
local terms energy: -85.294819
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -176.665560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.665560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.665560 (E_RNA)
where:
Base-Base interactions energy: -110.133
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.391
local terms energy: -66.141936
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -11.592
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: 332
Temperature: 1.350000
Total energy: -86.698566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.698566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.698566 (E_RNA)
where:
Base-Base interactions energy: -20.313
where: short stacking energy: -20.313
Base-Backbone interact. energy: 0.220
local terms energy: -66.605827
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -292.837050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.837050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.837050 (E_RNA)
where:
Base-Base interactions energy: -202.052
where: short stacking energy: -84.822
Base-Backbone interact. energy: -0.071
local terms energy: -90.714157
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -15.903
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: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -311.095467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.095467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.095467 (E_RNA)
where:
Base-Base interactions energy: -224.416
where: short stacking energy: -85.953
Base-Backbone interact. energy: 0.027
local terms energy: -86.706316
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -22.803
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: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -278.545441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.545441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.545441 (E_RNA)
where:
Base-Base interactions energy: -191.183
where: short stacking energy: -74.074
Base-Backbone interact. energy: 0.105
local terms energy: -87.467601
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -22.182
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: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -252.880916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.880916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.880916 (E_RNA)
where:
Base-Base interactions energy: -163.861
where: short stacking energy: -69.556
Base-Backbone interact. energy: 1.417
local terms energy: -90.436812
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -261.603400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.603400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.603400 (E_RNA)
where:
Base-Base interactions energy: -177.067
where: short stacking energy: -76.073
Base-Backbone interact. energy: -0.471
local terms energy: -84.065899
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -22.499
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: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -248.709247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.709247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.709247 (E_RNA)
where:
Base-Base interactions energy: -162.070
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.247
local terms energy: -86.392411
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -19.095
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: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -229.986886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.986886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.986886 (E_RNA)
where:
Base-Base interactions energy: -149.916
where: short stacking energy: -67.489
Base-Backbone interact. energy: -0.220
local terms energy: -79.851523
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -225.423121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.423121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.423121 (E_RNA)
where:
Base-Base interactions energy: -144.463
where: short stacking energy: -67.922
Base-Backbone interact. energy: -0.022
local terms energy: -80.937618
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -176.592026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.592026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.592026 (E_RNA)
where:
Base-Base interactions energy: -105.388
where: short stacking energy: -52.847
Base-Backbone interact. energy: -0.638
local terms energy: -70.565926
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -91.421031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.421031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.421031 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -34.182
Base-Backbone interact. energy: -0.160
local terms energy: -57.079020
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: 2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -317.696814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.696814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.696814 (E_RNA)
where:
Base-Base interactions energy: -225.317
where: short stacking energy: -87.810
Base-Backbone interact. energy: 1.036
local terms energy: -93.415793
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -280.855446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.855446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.855446 (E_RNA)
where:
Base-Base interactions energy: -192.303
where: short stacking energy: -87.333
Base-Backbone interact. energy: -0.011
local terms energy: -88.541413
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -20.665
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: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -282.750369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.750369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.750369 (E_RNA)
where:
Base-Base interactions energy: -190.976
where: short stacking energy: -81.736
Base-Backbone interact. energy: 0.351
local terms energy: -92.125453
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -264.432319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.432319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.432319 (E_RNA)
where:
Base-Base interactions energy: -177.244
where: short stacking energy: -75.864
Base-Backbone interact. energy: 1.858
local terms energy: -89.047144
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -252.524767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.524767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.524767 (E_RNA)
where:
Base-Base interactions energy: -169.653
where: short stacking energy: -72.845
Base-Backbone interact. energy: -0.620
local terms energy: -82.251681
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -11.135
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: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -260.218595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.218595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.218595 (E_RNA)
where:
Base-Base interactions energy: -182.185
where: short stacking energy: -79.083
Base-Backbone interact. energy: -0.044
local terms energy: -77.989919
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -229.343407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.343407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.343407 (E_RNA)
where:
Base-Base interactions energy: -155.091
where: short stacking energy: -57.102
Base-Backbone interact. energy: 0.836
local terms energy: -75.088309
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -12.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -233.030237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.030237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.030237 (E_RNA)
where:
Base-Base interactions energy: -160.488
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.101
local terms energy: -72.440777
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -174.666606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.666606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.666606 (E_RNA)
where:
Base-Base interactions energy: -96.756
where: short stacking energy: -40.941
Base-Backbone interact. energy: -0.107
local terms energy: -77.803616
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -84.694702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.694702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.694702 (E_RNA)
where:
Base-Base interactions energy: -31.819
where: short stacking energy: -18.818
Base-Backbone interact. energy: -0.373
local terms energy: -52.502079
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: 5.646
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: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -313.957075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.957075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.957075 (E_RNA)
where:
Base-Base interactions energy: -232.002
where: short stacking energy: -85.484
Base-Backbone interact. energy: 3.560
local terms energy: -85.515479
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -12.895
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: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -296.999363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.999363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.999363 (E_RNA)
where:
Base-Base interactions energy: -202.757
where: short stacking energy: -84.328
Base-Backbone interact. energy: -0.067
local terms energy: -94.175035
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -15.452
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: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -286.526564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.526564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.526564 (E_RNA)
where:
Base-Base interactions energy: -193.312
where: short stacking energy: -85.643
Base-Backbone interact. energy: -0.017
local terms energy: -93.197138
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -25.888
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: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -264.229631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.229631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.229631 (E_RNA)
where:
Base-Base interactions energy: -183.082
where: short stacking energy: -73.129
Base-Backbone interact. energy: 0.246
local terms energy: -81.393417
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -233.746791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.746791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.746791 (E_RNA)
where:
Base-Base interactions energy: -154.051
where: short stacking energy: -62.319
Base-Backbone interact. energy: -0.104
local terms energy: -79.591333
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -18.098
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: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -241.691860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.691860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.691860 (E_RNA)
where:
Base-Base interactions energy: -157.095
where: short stacking energy: -71.136
Base-Backbone interact. energy: -0.011
local terms energy: -84.585699
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -243.910126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.910126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.910126 (E_RNA)
where:
Base-Base interactions energy: -164.272
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.203
local terms energy: -79.435898
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -173.384667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.384667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.384667 (E_RNA)
where:
Base-Base interactions energy: -104.066
where: short stacking energy: -47.223
Base-Backbone interact. energy: -0.222
local terms energy: -69.096913
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -9.317
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: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -206.466936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.466936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.466936 (E_RNA)
where:
Base-Base interactions energy: -136.705
where: short stacking energy: -61.393
Base-Backbone interact. energy: -0.108
local terms energy: -69.653735
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -95.311453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.311453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.311453 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -33.957
Base-Backbone interact. energy: -0.230
local terms energy: -58.852156
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -315.537985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.537985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.537985 (E_RNA)
where:
Base-Base interactions energy: -224.823
where: short stacking energy: -83.643
Base-Backbone interact. energy: -0.406
local terms energy: -90.308409
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -300.320141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.320141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.320141 (E_RNA)
where:
Base-Base interactions energy: -201.466
where: short stacking energy: -84.451
Base-Backbone interact. energy: -0.061
local terms energy: -98.792989
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -24.672
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: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -275.105276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.105276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.105276 (E_RNA)
where:
Base-Base interactions energy: -184.452
where: short stacking energy: -86.793
Base-Backbone interact. energy: 0.304
local terms energy: -90.956592
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -286.904388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.904388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.904388 (E_RNA)
where:
Base-Base interactions energy: -197.178
where: short stacking energy: -80.755
Base-Backbone interact. energy: -0.619
local terms energy: -89.107566
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -251.096452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.096452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.096452 (E_RNA)
where:
Base-Base interactions energy: -168.087
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.116
local terms energy: -82.894231
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -14.467
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: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -241.980748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.980748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.980748 (E_RNA)
where:
Base-Base interactions energy: -163.114
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.272
local terms energy: -78.594944
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -16.113
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: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -244.987197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.987197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.987197 (E_RNA)
where:
Base-Base interactions energy: -159.524
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.227
local terms energy: -85.236269
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -15.764
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: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -158.875253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.875253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.875253 (E_RNA)
where:
Base-Base interactions energy: -95.183
where: short stacking energy: -44.142
Base-Backbone interact. energy: -0.189
local terms energy: -63.503716
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -112.365311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.365311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.365311 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -43.000
Base-Backbone interact. energy: 0.276
local terms energy: -69.641545
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -10.170
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: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -212.328818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.328818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.328818 (E_RNA)
where:
Base-Base interactions energy: -137.773
where: short stacking energy: -52.437
Base-Backbone interact. energy: -0.314
local terms energy: -74.241675
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -316.584505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.584505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.584505 (E_RNA)
where:
Base-Base interactions energy: -226.448
where: short stacking energy: -82.808
Base-Backbone interact. energy: 1.173
local terms energy: -91.309542
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -296.569767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.569767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.569767 (E_RNA)
where:
Base-Base interactions energy: -203.774
where: short stacking energy: -93.233
Base-Backbone interact. energy: -0.337
local terms energy: -92.459186
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -296.303453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.303453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.303453 (E_RNA)
where:
Base-Base interactions energy: -205.688
where: short stacking energy: -89.290
Base-Backbone interact. energy: -0.093
local terms energy: -90.522125
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -24.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -268.325639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.325639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.325639 (E_RNA)
where:
Base-Base interactions energy: -178.143
where: short stacking energy: -80.930
Base-Backbone interact. energy: -0.194
local terms energy: -89.988983
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -262.044713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.044713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.044713 (E_RNA)
where:
Base-Base interactions energy: -175.055
where: short stacking energy: -71.920
Base-Backbone interact. energy: 0.961
local terms energy: -87.950792
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -267.682641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.682641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.682641 (E_RNA)
where:
Base-Base interactions energy: -176.110
where: short stacking energy: -75.906
Base-Backbone interact. energy: -0.018
local terms energy: -91.554075
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -28.218
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: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -253.597546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.597546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.597546 (E_RNA)
where:
Base-Base interactions energy: -170.969
where: short stacking energy: -75.572
Base-Backbone interact. energy: -1.189
local terms energy: -81.438697
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -21.554
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: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -187.994664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.994664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.994664 (E_RNA)
where:
Base-Base interactions energy: -114.041
where: short stacking energy: -49.524
Base-Backbone interact. energy: 0.228
local terms energy: -74.181807
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -90.660395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.660395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.660395 (E_RNA)
where:
Base-Base interactions energy: -37.116
where: short stacking energy: -35.290
Base-Backbone interact. energy: -0.139
local terms energy: -53.405380
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -2.101
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: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -189.073922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.073922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.073922 (E_RNA)
where:
Base-Base interactions energy: -118.123
where: short stacking energy: -54.481
Base-Backbone interact. energy: -0.012
local terms energy: -70.938551
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -3.837
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: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -307.779032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.779032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.779032 (E_RNA)
where:
Base-Base interactions energy: -220.444
where: short stacking energy: -83.157
Base-Backbone interact. energy: 0.506
local terms energy: -87.840711
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -294.739639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.739639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.739639 (E_RNA)
where:
Base-Base interactions energy: -204.338
where: short stacking energy: -88.481
Base-Backbone interact. energy: -0.098
local terms energy: -90.303035
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -25.847
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: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -289.010349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.010349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.010349 (E_RNA)
where:
Base-Base interactions energy: -192.044
where: short stacking energy: -76.793
Base-Backbone interact. energy: -0.043
local terms energy: -96.923327
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -14.295
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: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -262.859898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.859898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.859898 (E_RNA)
where:
Base-Base interactions energy: -171.932
where: short stacking energy: -75.846
Base-Backbone interact. energy: -0.013
local terms energy: -90.914661
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -274.378643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.378643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.378643 (E_RNA)
where:
Base-Base interactions energy: -181.307
where: short stacking energy: -87.671
Base-Backbone interact. energy: -0.000
local terms energy: -93.070987
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -27.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -269.607706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.607706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.607706 (E_RNA)
where:
Base-Base interactions energy: -191.332
where: short stacking energy: -71.594
Base-Backbone interact. energy: -0.689
local terms energy: -77.586496
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -243.932992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.932992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.932992 (E_RNA)
where:
Base-Base interactions energy: -169.677
where: short stacking energy: -69.870
Base-Backbone interact. energy: -0.165
local terms energy: -74.090255
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -16.719
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: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -219.672042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.672042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.672042 (E_RNA)
where:
Base-Base interactions energy: -139.032
where: short stacking energy: -49.809
Base-Backbone interact. energy: -0.161
local terms energy: -80.479384
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -9.584
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: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -215.041540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.041540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.041540 (E_RNA)
where:
Base-Base interactions energy: -142.376
where: short stacking energy: -55.918
Base-Backbone interact. energy: -0.104
local terms energy: -72.561654
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -87.311179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.311179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.311179 (E_RNA)
where:
Base-Base interactions energy: -37.875
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.510
local terms energy: -48.926016
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -8.926
flat angles P-C4'-P energy: -4.659
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: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -301.034825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.034825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.034825 (E_RNA)
where:
Base-Base interactions energy: -215.250
where: short stacking energy: -83.011
Base-Backbone interact. energy: -0.050
local terms energy: -85.734236
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -293.320604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.320604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.320604 (E_RNA)
where:
Base-Base interactions energy: -203.059
where: short stacking energy: -86.860
Base-Backbone interact. energy: -0.021
local terms energy: -90.241538
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -23.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -281.252910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.252910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.252910 (E_RNA)
where:
Base-Base interactions energy: -187.814
where: short stacking energy: -81.729
Base-Backbone interact. energy: -0.174
local terms energy: -93.265360
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -26.237
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: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -278.910486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.910486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.910486 (E_RNA)
where:
Base-Base interactions energy: -183.141
where: short stacking energy: -83.226
Base-Backbone interact. energy: -0.005
local terms energy: -95.764103
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -14.078
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: 5, replica: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -264.189420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.189420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.189420 (E_RNA)
where:
Base-Base interactions energy: -174.227
where: short stacking energy: -85.704
Base-Backbone interact. energy: 0.760
local terms energy: -90.722396
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -246.637855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.637855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.637855 (E_RNA)
where:
Base-Base interactions energy: -165.644
where: short stacking energy: -68.901
Base-Backbone interact. energy: -0.093
local terms energy: -80.900457
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -242.463234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.463234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.463234 (E_RNA)
where:
Base-Base interactions energy: -158.692
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.089
local terms energy: -83.681296
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -218.452486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.452486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.452486 (E_RNA)
where:
Base-Base interactions energy: -148.158
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.215
local terms energy: -70.079458
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -216.998561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.998561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.998561 (E_RNA)
where:
Base-Base interactions energy: -144.110
where: short stacking energy: -69.381
Base-Backbone interact. energy: -0.058
local terms energy: -72.830113
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -79.667648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.667648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.667648 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -31.081
Base-Backbone interact. energy: 2.154
local terms energy: -50.411904
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: 0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -319.636648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.636648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.636648 (E_RNA)
where:
Base-Base interactions energy: -230.082
where: short stacking energy: -87.592
Base-Backbone interact. energy: 0.155
local terms energy: -89.708987
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -292.529558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.529558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.529558 (E_RNA)
where:
Base-Base interactions energy: -197.937
where: short stacking energy: -82.412
Base-Backbone interact. energy: -0.242
local terms energy: -94.350812
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -23.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -286.158062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.158062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.158062 (E_RNA)
where:
Base-Base interactions energy: -191.330
where: short stacking energy: -81.306
Base-Backbone interact. energy: -0.045
local terms energy: -94.783591
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -14.036
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: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -273.693550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.693550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.693550 (E_RNA)
where:
Base-Base interactions energy: -185.242
where: short stacking energy: -77.630
Base-Backbone interact. energy: -0.208
local terms energy: -88.243414
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -11.871
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: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -272.172686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.172686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.172686 (E_RNA)
where:
Base-Base interactions energy: -178.884
where: short stacking energy: -80.507
Base-Backbone interact. energy: -0.001
local terms energy: -93.287195
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -16.040
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: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -236.282745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.282745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.282745 (E_RNA)
where:
Base-Base interactions energy: -157.901
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.100
local terms energy: -78.282003
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -229.718506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.718506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.718506 (E_RNA)
where:
Base-Base interactions energy: -155.698
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.168
local terms energy: -73.852147
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -215.174113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.174113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.174113 (E_RNA)
where:
Base-Base interactions energy: -137.465
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.748
local terms energy: -76.960778
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -240.298454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.298454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.298454 (E_RNA)
where:
Base-Base interactions energy: -166.302
where: short stacking energy: -78.064
Base-Backbone interact. energy: -0.677
local terms energy: -73.319305
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -92.560939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.560939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.560939 (E_RNA)
where:
Base-Base interactions energy: -27.186
where: short stacking energy: -23.274
Base-Backbone interact. energy: -0.229
local terms energy: -65.146206
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -316.083633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.083633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.083633 (E_RNA)
where:
Base-Base interactions energy: -234.526
where: short stacking energy: -79.762
Base-Backbone interact. energy: -0.295
local terms energy: -81.263103
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -296.928428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.928428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.928428 (E_RNA)
where:
Base-Base interactions energy: -199.469
where: short stacking energy: -80.582
Base-Backbone interact. energy: -0.101
local terms energy: -97.357993
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -13.173
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -285.894692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.894692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.894692 (E_RNA)
where:
Base-Base interactions energy: -185.395
where: short stacking energy: -87.937
Base-Backbone interact. energy: -0.250
local terms energy: -100.249486
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -292.681470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.681470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.681470 (E_RNA)
where:
Base-Base interactions energy: -198.958
where: short stacking energy: -81.930
Base-Backbone interact. energy: -0.112
local terms energy: -93.611096
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -24.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -273.729437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.729437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.729437 (E_RNA)
where:
Base-Base interactions energy: -180.369
where: short stacking energy: -81.584
Base-Backbone interact. energy: -0.070
local terms energy: -93.290723
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -24.132
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: 341
Temperature: 1.150000
Total energy: -240.879615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.879615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.879615 (E_RNA)
where:
Base-Base interactions energy: -162.560
where: short stacking energy: -68.779
Base-Backbone interact. energy: -0.104
local terms energy: -78.216352
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -17.393
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: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -242.179475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.179475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.179475 (E_RNA)
where:
Base-Base interactions energy: -161.977
where: short stacking energy: -72.641
Base-Backbone interact. energy: -0.163
local terms energy: -80.039778
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -232.540354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.540354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.540354 (E_RNA)
where:
Base-Base interactions energy: -153.154
where: short stacking energy: -72.712
Base-Backbone interact. energy: -0.234
local terms energy: -79.152599
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -14.214
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: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -219.983450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.983450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.983450 (E_RNA)
where:
Base-Base interactions energy: -136.604
where: short stacking energy: -61.850
Base-Backbone interact. energy: -0.427
local terms energy: -82.952703
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -153.285349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.285349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.285349 (E_RNA)
where:
Base-Base interactions energy: -91.924
where: short stacking energy: -49.003
Base-Backbone interact. energy: -0.090
local terms energy: -61.271816
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -1.877
tors. eta vs tors. theta energy: -11.424
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: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -294.543307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.543307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.543307 (E_RNA)
where:
Base-Base interactions energy: -200.652
where: short stacking energy: -95.393
Base-Backbone interact. energy: -0.018
local terms energy: -93.874123
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -16.139
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: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -303.430841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.430841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.430841 (E_RNA)
where:
Base-Base interactions energy: -220.608
where: short stacking energy: -80.812
Base-Backbone interact. energy: 0.926
local terms energy: -83.748463
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -278.277683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.277683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.277683 (E_RNA)
where:
Base-Base interactions energy: -177.174
where: short stacking energy: -82.098
Base-Backbone interact. energy: -1.554
local terms energy: -99.550120
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -15.900
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: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -288.219036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.219036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.219036 (E_RNA)
where:
Base-Base interactions energy: -196.769
where: short stacking energy: -78.187
Base-Backbone interact. energy: -0.098
local terms energy: -91.352010
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -22.824
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: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -271.501328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.501328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.501328 (E_RNA)
where:
Base-Base interactions energy: -183.044
where: short stacking energy: -82.268
Base-Backbone interact. energy: -0.182
local terms energy: -88.275290
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -25.297
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: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -245.692829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.692829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.692829 (E_RNA)
where:
Base-Base interactions energy: -168.445
where: short stacking energy: -64.484
Base-Backbone interact. energy: -0.193
local terms energy: -77.054722
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -249.585186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.585186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.585186 (E_RNA)
where:
Base-Base interactions energy: -165.425
where: short stacking energy: -71.580
Base-Backbone interact. energy: 0.646
local terms energy: -84.806635
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -222.702099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.702099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.702099 (E_RNA)
where:
Base-Base interactions energy: -147.350
where: short stacking energy: -60.657
Base-Backbone interact. energy: 0.643
local terms energy: -75.995454
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -215.926969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.926969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.926969 (E_RNA)
where:
Base-Base interactions energy: -148.843
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.084
local terms energy: -66.999716
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -124.825781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.825781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.825781 (E_RNA)
where:
Base-Base interactions energy: -61.618
where: short stacking energy: -30.243
Base-Backbone interact. energy: -0.250
local terms energy: -62.958277
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -286.309139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.309139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.309139 (E_RNA)
where:
Base-Base interactions energy: -191.094
where: short stacking energy: -79.937
Base-Backbone interact. energy: -0.775
local terms energy: -94.440295
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -15.757
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: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -306.790967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.790967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.790967 (E_RNA)
where:
Base-Base interactions energy: -226.172
where: short stacking energy: -83.542
Base-Backbone interact. energy: 1.767
local terms energy: -82.386515
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -286.779136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.779136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.779136 (E_RNA)
where:
Base-Base interactions energy: -200.492
where: short stacking energy: -84.062
Base-Backbone interact. energy: -0.104
local terms energy: -86.183732
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -270.412763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.412763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.412763 (E_RNA)
where:
Base-Base interactions energy: -172.021
where: short stacking energy: -78.633
Base-Backbone interact. energy: -0.034
local terms energy: -98.357808
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -265.656728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.656728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.656728 (E_RNA)
where:
Base-Base interactions energy: -175.759
where: short stacking energy: -82.551
Base-Backbone interact. energy: -0.001
local terms energy: -89.896968
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -21.712
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: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -242.744761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.744761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.744761 (E_RNA)
where:
Base-Base interactions energy: -155.848
where: short stacking energy: -66.935
Base-Backbone interact. energy: 0.815
local terms energy: -87.711778
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -225.787250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.787250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.787250 (E_RNA)
where:
Base-Base interactions energy: -155.535
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.536
local terms energy: -69.716285
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -14.335
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: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -233.815572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.815572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.815572 (E_RNA)
where:
Base-Base interactions energy: -151.251
where: short stacking energy: -65.075
Base-Backbone interact. energy: 0.232
local terms energy: -82.796562
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -229.229537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.229537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.229537 (E_RNA)
where:
Base-Base interactions energy: -149.660
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.673
local terms energy: -78.896195
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -77.057772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.057772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.057772 (E_RNA)
where:
Base-Base interactions energy: -28.886
where: short stacking energy: -16.853
Base-Backbone interact. energy: -0.857
local terms energy: -47.314157
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: 3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -308.040634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.040634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.040634 (E_RNA)
where:
Base-Base interactions energy: -219.516
where: short stacking energy: -80.574
Base-Backbone interact. energy: 0.709
local terms energy: -89.233413
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -23.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -291.562902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.562902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.562902 (E_RNA)
where:
Base-Base interactions energy: -199.588
where: short stacking energy: -84.974
Base-Backbone interact. energy: -0.052
local terms energy: -91.922911
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -23.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -279.438769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.438769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.438769 (E_RNA)
where:
Base-Base interactions energy: -194.373
where: short stacking energy: -75.996
Base-Backbone interact. energy: -0.202
local terms energy: -84.863910
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -12.024
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: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -275.716774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.716774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.716774 (E_RNA)
where:
Base-Base interactions energy: -186.322
where: short stacking energy: -92.262
Base-Backbone interact. energy: -0.002
local terms energy: -89.392797
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -10.987
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: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -266.833633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.833633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.833633 (E_RNA)
where:
Base-Base interactions energy: -167.488
where: short stacking energy: -73.061
Base-Backbone interact. energy: -0.001
local terms energy: -99.344943
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -28.425
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: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -263.470030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.470030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.470030 (E_RNA)
where:
Base-Base interactions energy: -167.222
where: short stacking energy: -71.455
Base-Backbone interact. energy: 0.551
local terms energy: -96.799915
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -24.187
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: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -261.529694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.529694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.529694 (E_RNA)
where:
Base-Base interactions energy: -171.888
where: short stacking energy: -71.294
Base-Backbone interact. energy: -0.055
local terms energy: -89.586826
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -13.252
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: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -216.533805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.533805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.533805 (E_RNA)
where:
Base-Base interactions energy: -135.078
where: short stacking energy: -52.250
Base-Backbone interact. energy: 0.458
local terms energy: -81.913862
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -20.382
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: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -212.758095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.758095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.758095 (E_RNA)
where:
Base-Base interactions energy: -135.544
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.050
local terms energy: -77.163557
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -14.456
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: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -83.452056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.452056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.452056 (E_RNA)
where:
Base-Base interactions energy: -36.328
where: short stacking energy: -30.889
Base-Backbone interact. energy: -0.483
local terms energy: -46.641702
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -4.801
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: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -308.216567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.216567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.216567 (E_RNA)
where:
Base-Base interactions energy: -216.524
where: short stacking energy: -86.373
Base-Backbone interact. energy: 0.978
local terms energy: -92.670398
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -15.233
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: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -291.875148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.875148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.875148 (E_RNA)
where:
Base-Base interactions energy: -192.775
where: short stacking energy: -89.655
Base-Backbone interact. energy: -0.074
local terms energy: -99.026161
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -27.489
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: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -280.711405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.711405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.711405 (E_RNA)
where:
Base-Base interactions energy: -184.099
where: short stacking energy: -77.951
Base-Backbone interact. energy: -0.005
local terms energy: -96.607154
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -265.646815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.646815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.646815 (E_RNA)
where:
Base-Base interactions energy: -179.522
where: short stacking energy: -74.126
Base-Backbone interact. energy: 1.954
local terms energy: -88.078740
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -236.883490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.883490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.883490 (E_RNA)
where:
Base-Base interactions energy: -160.192
where: short stacking energy: -66.792
Base-Backbone interact. energy: -0.167
local terms energy: -76.525021
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -15.294
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: 345
Temperature: 1.150000
Total energy: -271.962232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.962232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.962232 (E_RNA)
where:
Base-Base interactions energy: -188.488
where: short stacking energy: -83.815
Base-Backbone interact. energy: -0.082
local terms energy: -83.391932
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -207.022090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.022090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.022090 (E_RNA)
where:
Base-Base interactions energy: -129.604
where: short stacking energy: -53.625
Base-Backbone interact. energy: -0.106
local terms energy: -77.311994
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -222.441458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.441458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.441458 (E_RNA)
where:
Base-Base interactions energy: -155.827
where: short stacking energy: -61.144
Base-Backbone interact. energy: 1.757
local terms energy: -68.371720
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -224.284270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.284270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.284270 (E_RNA)
where:
Base-Base interactions energy: -144.543
where: short stacking energy: -67.350
Base-Backbone interact. energy: 1.333
local terms energy: -81.074715
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -92.304678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.304678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.304678 (E_RNA)
where:
Base-Base interactions energy: -33.719
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.127
local terms energy: -58.458538
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -3.899
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: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -311.338298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.338298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.338298 (E_RNA)
where:
Base-Base interactions energy: -213.991
where: short stacking energy: -88.199
Base-Backbone interact. energy: -0.046
local terms energy: -97.301498
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -27.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -304.237398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.237398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.237398 (E_RNA)
where:
Base-Base interactions energy: -219.827
where: short stacking energy: -79.457
Base-Backbone interact. energy: -0.043
local terms energy: -84.367095
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -265.933594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.933594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.933594 (E_RNA)
where:
Base-Base interactions energy: -174.277
where: short stacking energy: -81.023
Base-Backbone interact. energy: 0.194
local terms energy: -91.850782
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -283.440057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.440057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.440057 (E_RNA)
where:
Base-Base interactions energy: -198.328
where: short stacking energy: -73.756
Base-Backbone interact. energy: -0.009
local terms energy: -85.102364
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -12.660
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: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -238.276918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.276918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.276918 (E_RNA)
where:
Base-Base interactions energy: -155.797
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.507
local terms energy: -81.972787
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -234.429610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.429610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.429610 (E_RNA)
where:
Base-Base interactions energy: -147.630
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.198
local terms energy: -86.602312
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -16.653
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: 346
Temperature: 1.200000
Total energy: -241.379930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.379930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.379930 (E_RNA)
where:
Base-Base interactions energy: -150.398
where: short stacking energy: -67.530
Base-Backbone interact. energy: -0.376
local terms energy: -90.605853
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -12.909
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: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -235.157423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.157423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.157423 (E_RNA)
where:
Base-Base interactions energy: -155.434
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.056
local terms energy: -79.667233
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -206.061101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.061101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.061101 (E_RNA)
where:
Base-Base interactions energy: -132.494
where: short stacking energy: -60.009
Base-Backbone interact. energy: -0.052
local terms energy: -73.514970
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -94.396677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.396677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.396677 (E_RNA)
where:
Base-Base interactions energy: -36.529
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.499
local terms energy: -57.369216
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -2.048
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: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -306.210580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.210580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.210580 (E_RNA)
where:
Base-Base interactions energy: -206.912
where: short stacking energy: -87.253
Base-Backbone interact. energy: -0.027
local terms energy: -99.270954
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -26.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -303.435609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.435609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.435609 (E_RNA)
where:
Base-Base interactions energy: -219.687
where: short stacking energy: -78.867
Base-Backbone interact. energy: -0.300
local terms energy: -83.448951
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -22.115
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: 3, replica: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -273.939567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.939567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.939567 (E_RNA)
where:
Base-Base interactions energy: -186.164
where: short stacking energy: -70.250
Base-Backbone interact. energy: 0.611
local terms energy: -88.386633
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -270.366831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.366831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.366831 (E_RNA)
where:
Base-Base interactions energy: -182.416
where: short stacking energy: -84.026
Base-Backbone interact. energy: -0.219
local terms energy: -87.731661
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -24.514
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: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -242.795769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.795769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.795769 (E_RNA)
where:
Base-Base interactions energy: -155.893
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.164
local terms energy: -86.739139
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -14.730
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: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -232.201648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.201648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.201648 (E_RNA)
where:
Base-Base interactions energy: -143.177
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.292
local terms energy: -88.733523
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -14.473
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: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -234.233466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.233466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.233466 (E_RNA)
where:
Base-Base interactions energy: -145.819
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.460
local terms energy: -87.953728
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -11.220
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: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -223.693033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.693033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.693033 (E_RNA)
where:
Base-Base interactions energy: -160.389
where: short stacking energy: -59.397
Base-Backbone interact. energy: -0.251
local terms energy: -63.052273
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -227.735301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.735301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.735301 (E_RNA)
where:
Base-Base interactions energy: -152.683
where: short stacking energy: -70.051
Base-Backbone interact. energy: -0.308
local terms energy: -74.744565
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -101.854276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.854276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.854276 (E_RNA)
where:
Base-Base interactions energy: -39.381
where: short stacking energy: -37.560
Base-Backbone interact. energy: -0.204
local terms energy: -62.269087
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -302.813599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.813599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.813599 (E_RNA)
where:
Base-Base interactions energy: -218.003
where: short stacking energy: -82.858
Base-Backbone interact. energy: 3.266
local terms energy: -88.077111
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -22.575
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -291.479207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.479207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.479207 (E_RNA)
where:
Base-Base interactions energy: -197.116
where: short stacking energy: -78.918
Base-Backbone interact. energy: -0.018
local terms energy: -94.345569
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -257.782945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.782945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.782945 (E_RNA)
where:
Base-Base interactions energy: -164.717
where: short stacking energy: -71.517
Base-Backbone interact. energy: -0.268
local terms energy: -92.797785
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -20.173
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: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -253.460750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.460750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.460750 (E_RNA)
where:
Base-Base interactions energy: -171.927
where: short stacking energy: -68.082
Base-Backbone interact. energy: -0.112
local terms energy: -81.422346
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -280.535141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.535141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.535141 (E_RNA)
where:
Base-Base interactions energy: -191.406
where: short stacking energy: -77.991
Base-Backbone interact. energy: -1.059
local terms energy: -88.070108
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -25.395
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: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -266.583034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.583034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.583034 (E_RNA)
where:
Base-Base interactions energy: -178.706
where: short stacking energy: -75.641
Base-Backbone interact. energy: -0.029
local terms energy: -87.848602
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -12.700
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: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -239.598041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.598041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.598041 (E_RNA)
where:
Base-Base interactions energy: -157.031
where: short stacking energy: -66.378
Base-Backbone interact. energy: -0.529
local terms energy: -82.037774
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -225.121031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.121031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.121031 (E_RNA)
where:
Base-Base interactions energy: -143.193
where: short stacking energy: -53.445
Base-Backbone interact. energy: -0.246
local terms energy: -81.682566
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -221.176110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.176110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.176110 (E_RNA)
where:
Base-Base interactions energy: -149.604
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.860
local terms energy: -70.712033
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -7.355
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -78.328364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.328364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.328364 (E_RNA)
where:
Base-Base interactions energy: -27.000
where: short stacking energy: -19.572
Base-Backbone interact. energy: 1.276
local terms energy: -52.603653
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: 2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -305.846322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.846322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.846322 (E_RNA)
where:
Base-Base interactions energy: -212.121
where: short stacking energy: -80.958
Base-Backbone interact. energy: -0.069
local terms energy: -93.656416
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -21.570
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: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -285.707849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.707849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.707849 (E_RNA)
where:
Base-Base interactions energy: -197.047
where: short stacking energy: -87.852
Base-Backbone interact. energy: -0.053
local terms energy: -88.607456
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -25.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -264.914571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.914571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.914571 (E_RNA)
where:
Base-Base interactions energy: -177.894
where: short stacking energy: -81.844
Base-Backbone interact. energy: 0.604
local terms energy: -87.624506
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -9.299
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: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -279.007005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.007005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.007005 (E_RNA)
where:
Base-Base interactions energy: -190.709
where: short stacking energy: -89.466
Base-Backbone interact. energy: -0.019
local terms energy: -88.278210
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -26.356
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: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -267.362688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.362688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.362688 (E_RNA)
where:
Base-Base interactions energy: -182.619
where: short stacking energy: -80.265
Base-Backbone interact. energy: -0.028
local terms energy: -84.715921
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -260.278124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.278124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.278124 (E_RNA)
where:
Base-Base interactions energy: -171.822
where: short stacking energy: -73.436
Base-Backbone interact. energy: -0.131
local terms energy: -88.325075
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -227.777398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.777398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.777398 (E_RNA)
where:
Base-Base interactions energy: -156.521
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.514
local terms energy: -70.741650
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -13.957
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: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -229.956297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.956297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.956297 (E_RNA)
where:
Base-Base interactions energy: -151.928
where: short stacking energy: -62.780
Base-Backbone interact. energy: 1.022
local terms energy: -79.050039
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -219.056438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.056438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.056438 (E_RNA)
where:
Base-Base interactions energy: -136.905
where: short stacking energy: -55.038
Base-Backbone interact. energy: -0.064
local terms energy: -82.087571
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -86.728145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.728145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.728145 (E_RNA)
where:
Base-Base interactions energy: -32.079
where: short stacking energy: -32.079
Base-Backbone interact. energy: -0.183
local terms energy: -54.465668
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -8.770
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: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -305.647760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.647760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.647760 (E_RNA)
where:
Base-Base interactions energy: -214.350
where: short stacking energy: -88.243
Base-Backbone interact. energy: 1.133
local terms energy: -92.430518
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -10.118
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: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -297.475738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.475738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.475738 (E_RNA)
where:
Base-Base interactions energy: -198.462
where: short stacking energy: -91.200
Base-Backbone interact. energy: -0.003
local terms energy: -99.009977
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -24.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -268.433435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.433435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.433435 (E_RNA)
where:
Base-Base interactions energy: -180.654
where: short stacking energy: -84.667
Base-Backbone interact. energy: -0.087
local terms energy: -87.692323
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -261.401730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.401730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.401730 (E_RNA)
where:
Base-Base interactions energy: -174.519
where: short stacking energy: -76.555
Base-Backbone interact. energy: -0.496
local terms energy: -86.386066
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -254.328325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.328325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.328325 (E_RNA)
where:
Base-Base interactions energy: -171.395
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.834
local terms energy: -82.098581
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -20.019
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: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -244.984929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.984929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.984929 (E_RNA)
where:
Base-Base interactions energy: -158.953
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.320
local terms energy: -85.712005
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -229.438617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.438617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.438617 (E_RNA)
where:
Base-Base interactions energy: -153.675
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.005
local terms energy: -75.758785
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -18.497
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: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -242.618230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.618230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.618230 (E_RNA)
where:
Base-Base interactions energy: -167.062
where: short stacking energy: -71.957
Base-Backbone interact. energy: 0.460
local terms energy: -76.016187
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -6.361
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -212.868458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.868458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.868458 (E_RNA)
where:
Base-Base interactions energy: -139.521
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.170
local terms energy: -73.177597
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -101.458010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.458010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.458010 (E_RNA)
where:
Base-Base interactions energy: -39.237
where: short stacking energy: -18.923
Base-Backbone interact. energy: -0.623
local terms energy: -61.598806
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -310.842374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.842374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.842374 (E_RNA)
where:
Base-Base interactions energy: -217.676
where: short stacking energy: -86.203
Base-Backbone interact. energy: 0.293
local terms energy: -93.459659
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -24.682
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: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -279.027648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.027648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.027648 (E_RNA)
where:
Base-Base interactions energy: -182.607
where: short stacking energy: -83.791
Base-Backbone interact. energy: -0.053
local terms energy: -96.367465
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -24.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -287.217239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.217239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.217239 (E_RNA)
where:
Base-Base interactions energy: -195.289
where: short stacking energy: -79.595
Base-Backbone interact. energy: -0.054
local terms energy: -91.873808
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -25.711
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: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -261.067528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.067528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.067528 (E_RNA)
where:
Base-Base interactions energy: -173.803
where: short stacking energy: -80.568
Base-Backbone interact. energy: -0.067
local terms energy: -87.198083
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -21.448
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: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -268.869340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.869340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.869340 (E_RNA)
where:
Base-Base interactions energy: -183.540
where: short stacking energy: -74.556
Base-Backbone interact. energy: -1.022
local terms energy: -84.306744
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -253.211144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.211144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.211144 (E_RNA)
where:
Base-Base interactions energy: -172.182
where: short stacking energy: -69.675
Base-Backbone interact. energy: -0.106
local terms energy: -80.922830
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -223.306293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.306293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.306293 (E_RNA)
where:
Base-Base interactions energy: -153.017
where: short stacking energy: -69.096
Base-Backbone interact. energy: -0.794
local terms energy: -69.495601
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -228.593083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.593083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.593083 (E_RNA)
where:
Base-Base interactions energy: -159.963
where: short stacking energy: -58.053
Base-Backbone interact. energy: -0.206
local terms energy: -68.423952
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -213.806070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.806070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.806070 (E_RNA)
where:
Base-Base interactions energy: -141.686
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.093
local terms energy: -72.027659
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -91.799977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.799977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.799977 (E_RNA)
where:
Base-Base interactions energy: -33.199
where: short stacking energy: -26.825
Base-Backbone interact. energy: -1.015
local terms energy: -57.585530
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -10.167
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: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -291.222875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.222875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.222875 (E_RNA)
where:
Base-Base interactions energy: -193.881
where: short stacking energy: -95.550
Base-Backbone interact. energy: -0.025
local terms energy: -97.315953
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -14.417
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: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -297.164884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.164884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.164884 (E_RNA)
where:
Base-Base interactions energy: -204.449
where: short stacking energy: -83.755
Base-Backbone interact. energy: 1.047
local terms energy: -93.762409
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -23.158
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: 352
Temperature: 1.000000
Total energy: -290.699144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.699144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.699144 (E_RNA)
where:
Base-Base interactions energy: -200.637
where: short stacking energy: -83.074
Base-Backbone interact. energy: -0.038
local terms energy: -90.023518
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -26.524
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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -296.846141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.846141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.846141 (E_RNA)
where:
Base-Base interactions energy: -203.014
where: short stacking energy: -87.369
Base-Backbone interact. energy: -0.142
local terms energy: -93.690149
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -26.366
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: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -262.854448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.854448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.854448 (E_RNA)
where:
Base-Base interactions energy: -175.206
where: short stacking energy: -84.612
Base-Backbone interact. energy: -0.088
local terms energy: -87.559763
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -23.608
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: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -268.290753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.290753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.290753 (E_RNA)
where:
Base-Base interactions energy: -174.804
where: short stacking energy: -82.289
Base-Backbone interact. energy: -0.298
local terms energy: -93.189520
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -27.211
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: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -236.762443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.762443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.762443 (E_RNA)
where:
Base-Base interactions energy: -163.735
where: short stacking energy: -67.804
Base-Backbone interact. energy: -0.504
local terms energy: -72.523727
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -256.068557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.068557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.068557 (E_RNA)
where:
Base-Base interactions energy: -168.929
where: short stacking energy: -74.468
Base-Backbone interact. energy: -0.158
local terms energy: -86.981027
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -23.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -226.319756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.319756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.319756 (E_RNA)
where:
Base-Base interactions energy: -139.082
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.022
local terms energy: -87.215263
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -81.025283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.025283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.025283 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.040
local terms energy: -50.554119
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -292.563619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.563619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.563619 (E_RNA)
where:
Base-Base interactions energy: -197.170
where: short stacking energy: -83.115
Base-Backbone interact. energy: -0.919
local terms energy: -94.474311
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -23.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -295.174346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.174346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.174346 (E_RNA)
where:
Base-Base interactions energy: -205.958
where: short stacking energy: -76.722
Base-Backbone interact. energy: 1.349
local terms energy: -90.564721
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -279.538294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.538294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.538294 (E_RNA)
where:
Base-Base interactions energy: -195.420
where: short stacking energy: -85.459
Base-Backbone interact. energy: -0.109
local terms energy: -84.009483
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -275.857150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.857150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.857150 (E_RNA)
where:
Base-Base interactions energy: -184.046
where: short stacking energy: -81.062
Base-Backbone interact. energy: -0.055
local terms energy: -91.755304
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -279.966011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.966011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.966011 (E_RNA)
where:
Base-Base interactions energy: -178.956
where: short stacking energy: -80.326
Base-Backbone interact. energy: -0.312
local terms energy: -100.697982
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -28.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -247.045529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.045529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.045529 (E_RNA)
where:
Base-Base interactions energy: -170.268
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.013
local terms energy: -76.765070
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -221.789421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.789421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789421 (E_RNA)
where:
Base-Base interactions energy: -152.367
where: short stacking energy: -63.784
Base-Backbone interact. energy: -1.445
local terms energy: -67.977125
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -12.469
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: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -217.166708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.166708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.166708 (E_RNA)
where:
Base-Base interactions energy: -154.011
where: short stacking energy: -68.670
Base-Backbone interact. energy: 0.672
local terms energy: -63.827278
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -245.489374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.489374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.489374 (E_RNA)
where:
Base-Base interactions energy: -165.080
where: short stacking energy: -75.433
Base-Backbone interact. energy: 0.173
local terms energy: -80.582932
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -82.887112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.887112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.887112 (E_RNA)
where:
Base-Base interactions energy: -30.161
where: short stacking energy: -17.400
Base-Backbone interact. energy: -0.236
local terms energy: -52.491046
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -1.312
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: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -304.823640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.823640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.823640 (E_RNA)
where:
Base-Base interactions energy: -214.712
where: short stacking energy: -82.582
Base-Backbone interact. energy: 2.318
local terms energy: -92.429721
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -285.034730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.034730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.034730 (E_RNA)
where:
Base-Base interactions energy: -197.440
where: short stacking energy: -81.323
Base-Backbone interact. energy: -0.869
local terms energy: -86.725929
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -273.226157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.226157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.226157 (E_RNA)
where:
Base-Base interactions energy: -185.527
where: short stacking energy: -81.452
Base-Backbone interact. energy: -0.007
local terms energy: -87.691532
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -25.052
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: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -267.301739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.301739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.301739 (E_RNA)
where:
Base-Base interactions energy: -169.562
where: short stacking energy: -84.269
Base-Backbone interact. energy: -0.039
local terms energy: -97.700817
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -27.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -256.519586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.519586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.519586 (E_RNA)
where:
Base-Base interactions energy: -173.305
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.091
local terms energy: -83.123788
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -239.373472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.373472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.373472 (E_RNA)
where:
Base-Base interactions energy: -152.648
where: short stacking energy: -73.963
Base-Backbone interact. energy: -2.875
local terms energy: -83.850754
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -23.022
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: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -235.038899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.038899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.038899 (E_RNA)
where:
Base-Base interactions energy: -153.126
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.123
local terms energy: -81.790090
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -231.575841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.575841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.575841 (E_RNA)
where:
Base-Base interactions energy: -158.181
where: short stacking energy: -71.321
Base-Backbone interact. energy: -0.042
local terms energy: -73.352968
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -226.771153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.771153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.771153 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -54.380
Base-Backbone interact. energy: -0.265
local terms energy: -79.893308
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -17.154
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -84.049377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.049377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.049377 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -15.132
Base-Backbone interact. energy: -0.396
local terms energy: -48.337412
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -11.103
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: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -298.498100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.498100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.498100 (E_RNA)
where:
Base-Base interactions energy: -206.803
where: short stacking energy: -80.619
Base-Backbone interact. energy: -0.667
local terms energy: -91.028519
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -13.787
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: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -287.916209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.916209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.916209 (E_RNA)
where:
Base-Base interactions energy: -191.599
where: short stacking energy: -81.442
Base-Backbone interact. energy: -0.184
local terms energy: -96.133137
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -11.092
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: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -283.539358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.539358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.539358 (E_RNA)
where:
Base-Base interactions energy: -192.577
where: short stacking energy: -80.877
Base-Backbone interact. energy: -0.027
local terms energy: -90.935313
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -25.344
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: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -255.472912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.472912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.472912 (E_RNA)
where:
Base-Base interactions energy: -168.886
where: short stacking energy: -79.246
Base-Backbone interact. energy: -0.010
local terms energy: -86.576767
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -23.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -257.384853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.384853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.384853 (E_RNA)
where:
Base-Base interactions energy: -173.050
where: short stacking energy: -81.291
Base-Backbone interact. energy: -0.011
local terms energy: -84.323760
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -14.373
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: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -256.442581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.442581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.442581 (E_RNA)
where:
Base-Base interactions energy: -179.823
where: short stacking energy: -76.888
Base-Backbone interact. energy: -0.264
local terms energy: -76.355527
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -16.372
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: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -243.635939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.635939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.635939 (E_RNA)
where:
Base-Base interactions energy: -161.001
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.753
local terms energy: -81.882300
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -221.466511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.466511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.466511 (E_RNA)
where:
Base-Base interactions energy: -142.663
where: short stacking energy: -59.998
Base-Backbone interact. energy: 0.459
local terms energy: -79.263032
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -220.842944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.842944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.842944 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.049
local terms energy: -76.775664
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -11.039
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: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -95.051536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.051536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.051536 (E_RNA)
where:
Base-Base interactions energy: -45.738
where: short stacking energy: -16.366
Base-Backbone interact. energy: -0.254
local terms energy: -49.058989
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: 1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -289.475284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.475284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.475284 (E_RNA)
where:
Base-Base interactions energy: -189.906
where: short stacking energy: -88.472
Base-Backbone interact. energy: -0.001
local terms energy: -99.567737
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -16.169
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: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -298.284050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.284050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.284050 (E_RNA)
where:
Base-Base interactions energy: -207.072
where: short stacking energy: -77.119
Base-Backbone interact. energy: 0.378
local terms energy: -91.590089
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -26.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -280.324107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.324107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.324107 (E_RNA)
where:
Base-Base interactions energy: -188.907
where: short stacking energy: -76.756
Base-Backbone interact. energy: -0.149
local terms energy: -91.268019
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -21.783
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: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -294.735318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.735318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.735318 (E_RNA)
where:
Base-Base interactions energy: -202.859
where: short stacking energy: -76.969
Base-Backbone interact. energy: -0.210
local terms energy: -91.667186
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -274.539041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.539041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.539041 (E_RNA)
where:
Base-Base interactions energy: -178.089
where: short stacking energy: -83.947
Base-Backbone interact. energy: -0.006
local terms energy: -96.443702
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -245.877387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.877387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.877387 (E_RNA)
where:
Base-Base interactions energy: -157.774
where: short stacking energy: -74.613
Base-Backbone interact. energy: -0.196
local terms energy: -87.907421
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -23.662
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: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -222.212232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.212232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.212232 (E_RNA)
where:
Base-Base interactions energy: -153.212
where: short stacking energy: -77.494
Base-Backbone interact. energy: 2.390
local terms energy: -71.389761
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -212.361584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.361584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.361584 (E_RNA)
where:
Base-Base interactions energy: -139.580
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.474
local terms energy: -72.307194
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -216.816380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.816380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.816380 (E_RNA)
where:
Base-Base interactions energy: -145.418
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.020
local terms energy: -71.378607
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -80.472790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.472790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.472790 (E_RNA)
where:
Base-Base interactions energy: -30.717
where: short stacking energy: -19.959
Base-Backbone interact. energy: -1.590
local terms energy: -48.165727
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: 2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -293.250040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.250040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.250040 (E_RNA)
where:
Base-Base interactions energy: -194.949
where: short stacking energy: -97.496
Base-Backbone interact. energy: -0.029
local terms energy: -98.271946
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -13.907
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: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -300.641590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.641590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.641590 (E_RNA)
where:
Base-Base interactions energy: -208.699
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.272
local terms energy: -91.670419
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -23.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -277.857973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.857973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.857973 (E_RNA)
where:
Base-Base interactions energy: -187.464
where: short stacking energy: -77.052
Base-Backbone interact. energy: -1.110
local terms energy: -89.283155
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -23.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -276.690674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.690674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.690674 (E_RNA)
where:
Base-Base interactions energy: -187.342
where: short stacking energy: -77.614
Base-Backbone interact. energy: -0.178
local terms energy: -89.170341
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -271.515464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.515464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.515464 (E_RNA)
where:
Base-Base interactions energy: -176.581
where: short stacking energy: -84.045
Base-Backbone interact. energy: -0.207
local terms energy: -94.727710
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -27.832
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: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -236.003019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.003019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.003019 (E_RNA)
where:
Base-Base interactions energy: -154.293
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.107
local terms energy: -81.602697
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -13.337
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: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -235.560925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.560925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.560925 (E_RNA)
where:
Base-Base interactions energy: -156.820
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.952
local terms energy: -77.789270
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -19.169
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: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -226.637208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.637208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.637208 (E_RNA)
where:
Base-Base interactions energy: -155.536
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.061
local terms energy: -71.040163
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -12.747
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: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -206.642210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.642210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.642210 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -63.650
Base-Backbone interact. energy: -0.509
local terms energy: -69.692552
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -107.424853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.424853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.424853 (E_RNA)
where:
Base-Base interactions energy: -46.142
where: short stacking energy: -45.721
Base-Backbone interact. energy: -0.071
local terms energy: -61.211813
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -303.259788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.259788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.259788 (E_RNA)
where:
Base-Base interactions energy: -214.620
where: short stacking energy: -86.367
Base-Backbone interact. energy: -0.256
local terms energy: -88.383725
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -11.174
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: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -289.268830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.268830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.268830 (E_RNA)
where:
Base-Base interactions energy: -196.914
where: short stacking energy: -90.721
Base-Backbone interact. energy: -0.009
local terms energy: -92.345533
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -25.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -274.848916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.848916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.848916 (E_RNA)
where:
Base-Base interactions energy: -187.680
where: short stacking energy: -77.114
Base-Backbone interact. energy: -0.102
local terms energy: -87.066640
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -22.518
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: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -278.549513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.549513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.549513 (E_RNA)
where:
Base-Base interactions energy: -198.819
where: short stacking energy: -76.218
Base-Backbone interact. energy: -0.061
local terms energy: -79.669380
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -23.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -271.949985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.949985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.949985 (E_RNA)
where:
Base-Base interactions energy: -181.815
where: short stacking energy: -80.436
Base-Backbone interact. energy: -0.108
local terms energy: -90.026918
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -251.751796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.751796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.751796 (E_RNA)
where:
Base-Base interactions energy: -175.320
where: short stacking energy: -80.363
Base-Backbone interact. energy: -0.208
local terms energy: -76.223902
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -23.345
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: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -229.561058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.561058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.561058 (E_RNA)
where:
Base-Base interactions energy: -148.332
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.129
local terms energy: -81.099489
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -20.515
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: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -235.876269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.876269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.876269 (E_RNA)
where:
Base-Base interactions energy: -165.707
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.187
local terms energy: -69.982017
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.882
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: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -210.377178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.377178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.377178 (E_RNA)
where:
Base-Base interactions energy: -138.693
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.248
local terms energy: -71.436599
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -6.735
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: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -80.375321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.375321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.375321 (E_RNA)
where:
Base-Base interactions energy: -30.272
where: short stacking energy: -19.882
Base-Backbone interact. energy: 2.733
local terms energy: -52.836633
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -0.402
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: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -303.381894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.381894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.381894 (E_RNA)
where:
Base-Base interactions energy: -212.054
where: short stacking energy: -81.143
Base-Backbone interact. energy: -0.285
local terms energy: -91.043394
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -289.407924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.407924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.407924 (E_RNA)
where:
Base-Base interactions energy: -194.313
where: short stacking energy: -85.269
Base-Backbone interact. energy: -0.085
local terms energy: -95.009624
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -27.119
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: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -287.000010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.000010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.000010 (E_RNA)
where:
Base-Base interactions energy: -194.790
where: short stacking energy: -86.765
Base-Backbone interact. energy: -0.044
local terms energy: -92.166086
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -27.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -281.562593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.562593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.562593 (E_RNA)
where:
Base-Base interactions energy: -199.264
where: short stacking energy: -81.950
Base-Backbone interact. energy: -0.116
local terms energy: -82.183301
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -20.737
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: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -268.821782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.821782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.821782 (E_RNA)
where:
Base-Base interactions energy: -190.438
where: short stacking energy: -82.746
Base-Backbone interact. energy: -0.291
local terms energy: -78.092140
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -23.208
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: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -238.634255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.634255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.634255 (E_RNA)
where:
Base-Base interactions energy: -166.085
where: short stacking energy: -65.166
Base-Backbone interact. energy: 1.394
local terms energy: -73.942527
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -244.808111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.808111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.808111 (E_RNA)
where:
Base-Base interactions energy: -159.698
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.209
local terms energy: -84.900452
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -218.604632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.604632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.604632 (E_RNA)
where:
Base-Base interactions energy: -137.157
where: short stacking energy: -57.476
Base-Backbone interact. energy: -0.093
local terms energy: -81.354528
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -221.499638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499638 (E_RNA)
where:
Base-Base interactions energy: -146.508
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.268
local terms energy: -74.723788
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -86.101211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.101211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.101211 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -21.587
Base-Backbone interact. energy: -0.127
local terms energy: -56.239156
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -301.634131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.634131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.634131 (E_RNA)
where:
Base-Base interactions energy: -201.724
where: short stacking energy: -83.239
Base-Backbone interact. energy: -0.085
local terms energy: -99.825249
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -25.046
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: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -300.858693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.858693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.858693 (E_RNA)
where:
Base-Base interactions energy: -212.734
where: short stacking energy: -80.165
Base-Backbone interact. energy: -0.411
local terms energy: -87.714507
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -23.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -289.289805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.289805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.289805 (E_RNA)
where:
Base-Base interactions energy: -202.724
where: short stacking energy: -81.875
Base-Backbone interact. energy: -0.528
local terms energy: -86.037823
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -6.576
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: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -277.494350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.494350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.494350 (E_RNA)
where:
Base-Base interactions energy: -186.049
where: short stacking energy: -93.494
Base-Backbone interact. energy: -0.067
local terms energy: -91.378603
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -271.263218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.263218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.263218 (E_RNA)
where:
Base-Base interactions energy: -177.206
where: short stacking energy: -85.905
Base-Backbone interact. energy: -0.042
local terms energy: -94.014865
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -26.188
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: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -229.736541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.736541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736541 (E_RNA)
where:
Base-Base interactions energy: -145.081
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.246
local terms energy: -84.409203
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -236.453286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.453286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.453286 (E_RNA)
where:
Base-Base interactions energy: -157.666
where: short stacking energy: -76.255
Base-Backbone interact. energy: -0.108
local terms energy: -78.679722
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -223.362562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.362562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.362562 (E_RNA)
where:
Base-Base interactions energy: -147.517
where: short stacking energy: -63.248
Base-Backbone interact. energy: 0.061
local terms energy: -75.907031
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -235.323438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.323438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.323438 (E_RNA)
where:
Base-Base interactions energy: -152.923
where: short stacking energy: -64.896
Base-Backbone interact. energy: -1.077
local terms energy: -81.323774
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -8.715
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: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -91.424515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.424515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.424515 (E_RNA)
where:
Base-Base interactions energy: -27.423
where: short stacking energy: -24.223
Base-Backbone interact. energy: -0.148
local terms energy: -63.854242
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -1.650
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: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -295.885819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.885819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.885819 (E_RNA)
where:
Base-Base interactions energy: -204.914
where: short stacking energy: -87.355
Base-Backbone interact. energy: -0.067
local terms energy: -90.904909
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -27.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -302.456177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.456177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.456177 (E_RNA)
where:
Base-Base interactions energy: -210.829
where: short stacking energy: -82.693
Base-Backbone interact. energy: 0.130
local terms energy: -91.756811
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -279.223672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.223672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.223672 (E_RNA)
where:
Base-Base interactions energy: -185.947
where: short stacking energy: -82.714
Base-Backbone interact. energy: 0.328
local terms energy: -93.604967
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -267.966886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.966886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.966886 (E_RNA)
where:
Base-Base interactions energy: -180.279
where: short stacking energy: -83.021
Base-Backbone interact. energy: -0.120
local terms energy: -87.568540
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -264.467920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.467920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.467920 (E_RNA)
where:
Base-Base interactions energy: -179.009
where: short stacking energy: -74.863
Base-Backbone interact. energy: -0.910
local terms energy: -84.549519
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -25.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -249.780332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.780332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.780332 (E_RNA)
where:
Base-Base interactions energy: -160.795
where: short stacking energy: -68.889
Base-Backbone interact. energy: -0.294
local terms energy: -88.690974
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -24.421
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: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -236.946181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.946181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.946181 (E_RNA)
where:
Base-Base interactions energy: -159.817
where: short stacking energy: -66.069
Base-Backbone interact. energy: -0.333
local terms energy: -76.796069
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -18.558
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: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -232.085653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.085653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.085653 (E_RNA)
where:
Base-Base interactions energy: -153.663
where: short stacking energy: -66.171
Base-Backbone interact. energy: -0.055
local terms energy: -78.367544
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -222.640750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.640750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.640750 (E_RNA)
where:
Base-Base interactions energy: -152.048
where: short stacking energy: -69.497
Base-Backbone interact. energy: -0.137
local terms energy: -70.455723
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -101.762642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.762642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.762642 (E_RNA)
where:
Base-Base interactions energy: -40.490
where: short stacking energy: -26.984
Base-Backbone interact. energy: -0.443
local terms energy: -60.830328
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -7.580
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -304.468270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.468270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.468270 (E_RNA)
where:
Base-Base interactions energy: -212.988
where: short stacking energy: -84.429
Base-Backbone interact. energy: -0.736
local terms energy: -90.744382
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -302.685559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.685559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.685559 (E_RNA)
where:
Base-Base interactions energy: -206.289
where: short stacking energy: -92.250
Base-Backbone interact. energy: -0.106
local terms energy: -96.291309
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -285.388410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.388410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.388410 (E_RNA)
where:
Base-Base interactions energy: -190.151
where: short stacking energy: -84.353
Base-Backbone interact. energy: -0.005
local terms energy: -95.232866
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -25.711
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: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -270.991401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.991401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.991401 (E_RNA)
where:
Base-Base interactions energy: -182.346
where: short stacking energy: -88.469
Base-Backbone interact. energy: -0.002
local terms energy: -88.643814
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -259.950202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.950202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.950202 (E_RNA)
where:
Base-Base interactions energy: -176.871
where: short stacking energy: -74.532
Base-Backbone interact. energy: -0.016
local terms energy: -83.063683
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.667
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: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -239.188400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.188400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.188400 (E_RNA)
where:
Base-Base interactions energy: -157.575
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.158
local terms energy: -81.455165
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -229.863959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.863959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.863959 (E_RNA)
where:
Base-Base interactions energy: -160.183
where: short stacking energy: -69.229
Base-Backbone interact. energy: -0.188
local terms energy: -69.492609
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -14.287
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: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -230.456054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.456054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.456054 (E_RNA)
where:
Base-Base interactions energy: -157.598
where: short stacking energy: -72.412
Base-Backbone interact. energy: -0.097
local terms energy: -72.760694
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -218.942459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.942459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.942459 (E_RNA)
where:
Base-Base interactions energy: -155.739
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.104
local terms energy: -63.099272
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -89.262113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.262113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.262113 (E_RNA)
where:
Base-Base interactions energy: -30.607
where: short stacking energy: -24.371
Base-Backbone interact. energy: -0.275
local terms energy: -58.380011
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: 2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -300.302714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.302714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.302714 (E_RNA)
where:
Base-Base interactions energy: -208.092
where: short stacking energy: -79.347
Base-Backbone interact. energy: 0.159
local terms energy: -92.370161
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -291.411090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.411090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.411090 (E_RNA)
where:
Base-Base interactions energy: -195.304
where: short stacking energy: -80.711
Base-Backbone interact. energy: -0.043
local terms energy: -96.064696
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -296.482773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.482773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.482773 (E_RNA)
where:
Base-Base interactions energy: -197.110
where: short stacking energy: -83.000
Base-Backbone interact. energy: -0.110
local terms energy: -99.263031
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -27.924
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: 363
Temperature: 1.050000
Total energy: -281.393218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.393218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.393218 (E_RNA)
where:
Base-Base interactions energy: -194.457
where: short stacking energy: -75.124
Base-Backbone interact. energy: -0.180
local terms energy: -86.755422
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -22.717
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: 363
Temperature: 1.100000
Total energy: -255.253728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.253728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.253728 (E_RNA)
where:
Base-Base interactions energy: -165.822
where: short stacking energy: -69.999
Base-Backbone interact. energy: -0.069
local terms energy: -89.362645
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -21.824
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: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -263.500683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.500683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.500683 (E_RNA)
where:
Base-Base interactions energy: -181.158
where: short stacking energy: -70.373
Base-Backbone interact. energy: -1.503
local terms energy: -80.839349
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -239.632743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.632743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.632743 (E_RNA)
where:
Base-Base interactions energy: -159.063
where: short stacking energy: -61.597
Base-Backbone interact. energy: -1.553
local terms energy: -79.016593
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -230.532897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.532897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.532897 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -67.146
Base-Backbone interact. energy: -0.098
local terms energy: -83.981412
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -243.952779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.952779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.952779 (E_RNA)
where:
Base-Base interactions energy: -172.815
where: short stacking energy: -69.052
Base-Backbone interact. energy: -0.010
local terms energy: -71.127446
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -89.275697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.275697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.275697 (E_RNA)
where:
Base-Base interactions energy: -37.080
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.431
local terms energy: -51.764766
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -295.815760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.815760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.815760 (E_RNA)
where:
Base-Base interactions energy: -194.653
where: short stacking energy: -92.773
Base-Backbone interact. energy: -0.112
local terms energy: -101.051469
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -26.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -295.912664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.912664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.912664 (E_RNA)
where:
Base-Base interactions energy: -205.571
where: short stacking energy: -76.406
Base-Backbone interact. energy: 1.348
local terms energy: -91.689954
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -283.397469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.397469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.397469 (E_RNA)
where:
Base-Base interactions energy: -198.511
where: short stacking energy: -88.677
Base-Backbone interact. energy: -0.149
local terms energy: -84.738066
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -274.103220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.103220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.103220 (E_RNA)
where:
Base-Base interactions energy: -176.911
where: short stacking energy: -78.246
Base-Backbone interact. energy: -0.881
local terms energy: -96.311118
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -26.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -256.520364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.520364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.520364 (E_RNA)
where:
Base-Base interactions energy: -170.503
where: short stacking energy: -69.365
Base-Backbone interact. energy: -0.228
local terms energy: -85.788734
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -8.483
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: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -248.021868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.021868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.021868 (E_RNA)
where:
Base-Base interactions energy: -170.849
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.096
local terms energy: -77.076972
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -20.037
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: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -238.440978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.440978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.440978 (E_RNA)
where:
Base-Base interactions energy: -151.771
where: short stacking energy: -69.077
Base-Backbone interact. energy: -0.805
local terms energy: -85.865296
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -232.212765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.212765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.212765 (E_RNA)
where:
Base-Base interactions energy: -150.737
where: short stacking energy: -64.615
Base-Backbone interact. energy: 0.517
local terms energy: -81.993185
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -10.815
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: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -200.113250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.113250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.113250 (E_RNA)
where:
Base-Base interactions energy: -126.279
where: short stacking energy: -52.242
Base-Backbone interact. energy: -0.370
local terms energy: -73.463899
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -86.545296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.545296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.545296 (E_RNA)
where:
Base-Base interactions energy: -28.332
where: short stacking energy: -21.296
Base-Backbone interact. energy: -0.227
local terms energy: -57.986743
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: 1.965
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: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -293.736132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.736132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.736132 (E_RNA)
where:
Base-Base interactions energy: -207.825
where: short stacking energy: -81.014
Base-Backbone interact. energy: -0.026
local terms energy: -85.884752
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -27.329
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: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -294.528052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.528052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.528052 (E_RNA)
where:
Base-Base interactions energy: -209.578
where: short stacking energy: -79.413
Base-Backbone interact. energy: 0.625
local terms energy: -85.575202
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -17.967
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: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -289.018172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.018172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.018172 (E_RNA)
where:
Base-Base interactions energy: -200.557
where: short stacking energy: -84.431
Base-Backbone interact. energy: -0.119
local terms energy: -88.341364
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -25.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -283.917734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.917734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.917734 (E_RNA)
where:
Base-Base interactions energy: -184.752
where: short stacking energy: -88.653
Base-Backbone interact. energy: -1.120
local terms energy: -98.045715
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -28.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -263.827128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.827128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.827128 (E_RNA)
where:
Base-Base interactions energy: -177.745
where: short stacking energy: -78.428
Base-Backbone interact. energy: -0.005
local terms energy: -86.077234
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -9.953
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: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -238.110197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.110197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.110197 (E_RNA)
where:
Base-Base interactions energy: -157.610
where: short stacking energy: -77.044
Base-Backbone interact. energy: -0.051
local terms energy: -80.449016
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -243.743793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.743793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.743793 (E_RNA)
where:
Base-Base interactions energy: -154.119
where: short stacking energy: -64.897
Base-Backbone interact. energy: 0.030
local terms energy: -89.654932
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -15.802
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: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -245.826130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.826130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.826130 (E_RNA)
where:
Base-Base interactions energy: -170.390
where: short stacking energy: -77.495
Base-Backbone interact. energy: -0.007
local terms energy: -75.429379
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -25.270
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: 365
Temperature: 1.300000
Total energy: -219.262839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.262839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.262839 (E_RNA)
where:
Base-Base interactions energy: -154.421
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.147
local terms energy: -64.695427
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -96.051692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.051692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.051692 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.080
local terms energy: -61.774799
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -299.537957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.537957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.537957 (E_RNA)
where:
Base-Base interactions energy: -208.199
where: short stacking energy: -76.899
Base-Backbone interact. energy: -0.484
local terms energy: -90.854257
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -306.203242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.203242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.203242 (E_RNA)
where:
Base-Base interactions energy: -210.662
where: short stacking energy: -85.291
Base-Backbone interact. energy: -0.035
local terms energy: -95.506706
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -25.998
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: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -280.474734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.474734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.474734 (E_RNA)
where:
Base-Base interactions energy: -192.937
where: short stacking energy: -83.802
Base-Backbone interact. energy: -0.843
local terms energy: -86.695112
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -25.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -278.233577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.233577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.233577 (E_RNA)
where:
Base-Base interactions energy: -189.734
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.679
local terms energy: -87.820518
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -266.871177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.871177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.871177 (E_RNA)
where:
Base-Base interactions energy: -179.118
where: short stacking energy: -77.091
Base-Backbone interact. energy: 1.137
local terms energy: -88.890163
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -266.739621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.739621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.739621 (E_RNA)
where:
Base-Base interactions energy: -182.700
where: short stacking energy: -66.267
Base-Backbone interact. energy: -0.117
local terms energy: -83.922557
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -244.262237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.262237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.262237 (E_RNA)
where:
Base-Base interactions energy: -165.370
where: short stacking energy: -73.153
Base-Backbone interact. energy: -0.082
local terms energy: -78.810381
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -243.008960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.008960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.008960 (E_RNA)
where:
Base-Base interactions energy: -175.377
where: short stacking energy: -76.898
Base-Backbone interact. energy: -0.053
local terms energy: -67.579062
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -189.493565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.493565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.493565 (E_RNA)
where:
Base-Base interactions energy: -118.011
where: short stacking energy: -56.539
Base-Backbone interact. energy: -0.143
local terms energy: -71.340106
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -87.235952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.235952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.235952 (E_RNA)
where:
Base-Base interactions energy: -39.494
where: short stacking energy: -32.051
Base-Backbone interact. energy: 0.216
local terms energy: -47.957470
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -9.478
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -7.965
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: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -301.877173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.877173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.877173 (E_RNA)
where:
Base-Base interactions energy: -210.988
where: short stacking energy: -79.586
Base-Backbone interact. energy: 0.128
local terms energy: -91.016957
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -295.480442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.480442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.480442 (E_RNA)
where:
Base-Base interactions energy: -200.693
where: short stacking energy: -83.492
Base-Backbone interact. energy: -0.106
local terms energy: -94.681660
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -288.172832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.172832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.172832 (E_RNA)
where:
Base-Base interactions energy: -196.201
where: short stacking energy: -80.287
Base-Backbone interact. energy: -0.726
local terms energy: -91.245344
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -273.908969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.908969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.908969 (E_RNA)
where:
Base-Base interactions energy: -185.524
where: short stacking energy: -84.992
Base-Backbone interact. energy: -0.081
local terms energy: -88.303509
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -250.725344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.725344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.725344 (E_RNA)
where:
Base-Base interactions energy: -171.371
where: short stacking energy: -82.959
Base-Backbone interact. energy: -0.019
local terms energy: -79.334764
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -265.294495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.294495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.294495 (E_RNA)
where:
Base-Base interactions energy: -175.216
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.351
local terms energy: -89.726917
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -26.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -259.997174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.997174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.997174 (E_RNA)
where:
Base-Base interactions energy: -176.572
where: short stacking energy: -70.775
Base-Backbone interact. energy: -0.281
local terms energy: -83.143717
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -20.457
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: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -239.948145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.948145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.948145 (E_RNA)
where:
Base-Base interactions energy: -158.004
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.005
local terms energy: -81.938675
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -22.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -225.825721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.825721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.825721 (E_RNA)
where:
Base-Base interactions energy: -151.755
where: short stacking energy: -71.019
Base-Backbone interact. energy: 0.313
local terms energy: -74.384102
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -91.548984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.548984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.548984 (E_RNA)
where:
Base-Base interactions energy: -33.701
where: short stacking energy: -32.322
Base-Backbone interact. energy: -0.422
local terms energy: -57.426085
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -5.714
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: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -299.533720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.533720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.533720 (E_RNA)
where:
Base-Base interactions energy: -208.335
where: short stacking energy: -81.851
Base-Backbone interact. energy: 0.452
local terms energy: -91.650647
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -293.963826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.963826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.963826 (E_RNA)
where:
Base-Base interactions energy: -206.211
where: short stacking energy: -84.708
Base-Backbone interact. energy: -0.218
local terms energy: -87.534806
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -10.311
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: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -285.865110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.865110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.865110 (E_RNA)
where:
Base-Base interactions energy: -195.780
where: short stacking energy: -83.910
Base-Backbone interact. energy: -0.198
local terms energy: -89.887466
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -271.430580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.430580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.430580 (E_RNA)
where:
Base-Base interactions energy: -184.440
where: short stacking energy: -90.915
Base-Backbone interact. energy: -0.030
local terms energy: -86.960521
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -25.549
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: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -267.145185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.145185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.145185 (E_RNA)
where:
Base-Base interactions energy: -177.695
where: short stacking energy: -75.350
Base-Backbone interact. energy: -0.075
local terms energy: -89.374331
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -256.311297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.311297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.311297 (E_RNA)
where:
Base-Base interactions energy: -170.029
where: short stacking energy: -76.755
Base-Backbone interact. energy: -0.095
local terms energy: -86.186883
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -226.495304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.495304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.495304 (E_RNA)
where:
Base-Base interactions energy: -153.217
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.726
local terms energy: -72.552142
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -252.153664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.153664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.153664 (E_RNA)
where:
Base-Base interactions energy: -164.514
where: short stacking energy: -77.153
Base-Backbone interact. energy: -0.278
local terms energy: -87.361978
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -224.451054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.451054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.451054 (E_RNA)
where:
Base-Base interactions energy: -148.587
where: short stacking energy: -65.264
Base-Backbone interact. energy: -0.102
local terms energy: -75.761679
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -17.578
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: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -103.846368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.846368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.846368 (E_RNA)
where:
Base-Base interactions energy: -43.099
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.151
local terms energy: -60.596691
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -2.441
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -302.474901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.474901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.474901 (E_RNA)
where:
Base-Base interactions energy: -211.242
where: short stacking energy: -82.620
Base-Backbone interact. energy: 1.016
local terms energy: -92.248109
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -284.704801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.704801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.704801 (E_RNA)
where:
Base-Base interactions energy: -190.227
where: short stacking energy: -74.609
Base-Backbone interact. energy: -0.179
local terms energy: -94.298738
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -22.478
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: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -290.020695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.020695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.020695 (E_RNA)
where:
Base-Base interactions energy: -196.948
where: short stacking energy: -78.955
Base-Backbone interact. energy: -0.050
local terms energy: -93.022395
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -11.485
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: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -265.799102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.799102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.799102 (E_RNA)
where:
Base-Base interactions energy: -175.227
where: short stacking energy: -70.077
Base-Backbone interact. energy: -1.300
local terms energy: -89.272201
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -269.459802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.459802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.459802 (E_RNA)
where:
Base-Base interactions energy: -181.491
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.046
local terms energy: -87.923338
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -19.935
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: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -251.364888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.364888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.364888 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -78.675
Base-Backbone interact. energy: -0.142
local terms energy: -79.032536
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -229.860111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.860111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.860111 (E_RNA)
where:
Base-Base interactions energy: -147.800
where: short stacking energy: -74.331
Base-Backbone interact. energy: -0.040
local terms energy: -82.019737
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -17.672
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: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -244.791093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.791093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.791093 (E_RNA)
where:
Base-Base interactions energy: -160.643
where: short stacking energy: -69.620
Base-Backbone interact. energy: 1.239
local terms energy: -85.387036
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -24.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -217.000457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.000457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.000457 (E_RNA)
where:
Base-Base interactions energy: -153.081
where: short stacking energy: -67.862
Base-Backbone interact. energy: 0.411
local terms energy: -64.330461
where:
bonds (distance) C4'-P energy: -5.654
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -14.755
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: 369
Temperature: 1.350000
Total energy: -89.067247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.067247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.067247 (E_RNA)
where:
Base-Base interactions energy: -28.867
where: short stacking energy: -21.422
Base-Backbone interact. energy: -0.092
local terms energy: -60.108721
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -299.932518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.932518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.932518 (E_RNA)
where:
Base-Base interactions energy: -202.890
where: short stacking energy: -85.019
Base-Backbone interact. energy: 1.477
local terms energy: -98.520259
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -24.236
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: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -282.524059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.524059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.524059 (E_RNA)
where:
Base-Base interactions energy: -192.029
where: short stacking energy: -80.204
Base-Backbone interact. energy: -0.579
local terms energy: -89.916333
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -20.367
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: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -279.078330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.078330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.078330 (E_RNA)
where:
Base-Base interactions energy: -180.672
where: short stacking energy: -94.654
Base-Backbone interact. energy: -0.043
local terms energy: -98.363544
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -30.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -259.109670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.109670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.109670 (E_RNA)
where:
Base-Base interactions energy: -175.954
where: short stacking energy: -68.580
Base-Backbone interact. energy: -0.112
local terms energy: -83.043666
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -18.983
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: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -259.357503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.357503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.357503 (E_RNA)
where:
Base-Base interactions energy: -180.421
where: short stacking energy: -74.697
Base-Backbone interact. energy: -0.139
local terms energy: -78.797720
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -12.533
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: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -234.972927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.972927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.972927 (E_RNA)
where:
Base-Base interactions energy: -153.053
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.056
local terms energy: -81.863776
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -233.533423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.533423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.533423 (E_RNA)
where:
Base-Base interactions energy: -147.756
where: short stacking energy: -65.013
Base-Backbone interact. energy: 0.218
local terms energy: -85.995951
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -219.923841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.923841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.923841 (E_RNA)
where:
Base-Base interactions energy: -145.744
where: short stacking energy: -54.915
Base-Backbone interact. energy: -0.049
local terms energy: -74.130915
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -200.654993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.654993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.654993 (E_RNA)
where:
Base-Base interactions energy: -125.572
where: short stacking energy: -50.713
Base-Backbone interact. energy: -0.063
local terms energy: -75.020208
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -10.999
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: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -84.464821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.464821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.464821 (E_RNA)
where:
Base-Base interactions energy: -23.490
where: short stacking energy: -23.490
Base-Backbone interact. energy: -0.280
local terms energy: -60.693897
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -4.964
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: 371
Temperature: 0.900000
Total energy: -301.930620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.930620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.930620 (E_RNA)
where:
Base-Base interactions energy: -209.600
where: short stacking energy: -89.217
Base-Backbone interact. energy: 0.507
local terms energy: -92.838147
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -289.246963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.246963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.246963 (E_RNA)
where:
Base-Base interactions energy: -193.541
where: short stacking energy: -80.890
Base-Backbone interact. energy: -2.481
local terms energy: -93.225041
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -277.061534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.061534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.061534 (E_RNA)
where:
Base-Base interactions energy: -187.062
where: short stacking energy: -80.089
Base-Backbone interact. energy: -0.127
local terms energy: -89.873321
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -24.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -263.052135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.052135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.052135 (E_RNA)
where:
Base-Base interactions energy: -179.262
where: short stacking energy: -84.680
Base-Backbone interact. energy: -0.248
local terms energy: -83.542684
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -249.995824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.995824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.995824 (E_RNA)
where:
Base-Base interactions energy: -162.020
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.090
local terms energy: -87.885777
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -242.039286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.039286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.039286 (E_RNA)
where:
Base-Base interactions energy: -152.937
where: short stacking energy: -67.268
Base-Backbone interact. energy: -1.169
local terms energy: -87.933907
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -234.766616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.766616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.766616 (E_RNA)
where:
Base-Base interactions energy: -150.239
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.041
local terms energy: -84.487466
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -225.259891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.259891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.259891 (E_RNA)
where:
Base-Base interactions energy: -143.000
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.045
local terms energy: -82.214840
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -205.426110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.426110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.426110 (E_RNA)
where:
Base-Base interactions energy: -131.970
where: short stacking energy: -60.300
Base-Backbone interact. energy: 1.166
local terms energy: -74.622274
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -13.363
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: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -92.852783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.852783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.852783 (E_RNA)
where:
Base-Base interactions energy: -24.535
where: short stacking energy: -22.793
Base-Backbone interact. energy: -0.208
local terms energy: -68.109541
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -309.149280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.149280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.149280 (E_RNA)
where:
Base-Base interactions energy: -211.927
where: short stacking energy: -86.761
Base-Backbone interact. energy: 0.252
local terms energy: -97.474225
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -24.987
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: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -287.409355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.409355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.409355 (E_RNA)
where:
Base-Base interactions energy: -199.230
where: short stacking energy: -83.003
Base-Backbone interact. energy: -0.369
local terms energy: -87.810159
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -13.105
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: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -291.888732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.888732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.888732 (E_RNA)
where:
Base-Base interactions energy: -193.344
where: short stacking energy: -77.614
Base-Backbone interact. energy: -0.000
local terms energy: -98.543871
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -26.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -270.988957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.988957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.988957 (E_RNA)
where:
Base-Base interactions energy: -176.169
where: short stacking energy: -78.493
Base-Backbone interact. energy: -0.339
local terms energy: -94.481244
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -14.828
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: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -267.100403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.100403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.100403 (E_RNA)
where:
Base-Base interactions energy: -173.654
where: short stacking energy: -76.251
Base-Backbone interact. energy: -0.009
local terms energy: -93.437102
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -264.385090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.385090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.385090 (E_RNA)
where:
Base-Base interactions energy: -180.555
where: short stacking energy: -67.607
Base-Backbone interact. energy: -0.016
local terms energy: -83.814702
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -226.328536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.328536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.328536 (E_RNA)
where:
Base-Base interactions energy: -153.936
where: short stacking energy: -59.067
Base-Backbone interact. energy: -1.134
local terms energy: -71.258299
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -16.522
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: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -238.393587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.393587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.393587 (E_RNA)
where:
Base-Base interactions energy: -161.904
where: short stacking energy: -76.475
Base-Backbone interact. energy: -0.179
local terms energy: -76.310686
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -21.213
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: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -223.013192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.013192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.013192 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.576
local terms energy: -80.735575
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -91.563702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.563702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.563702 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.386
local terms energy: -60.813946
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -4.942
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: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -298.958746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.958746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.958746 (E_RNA)
where:
Base-Base interactions energy: -211.449
where: short stacking energy: -87.356
Base-Backbone interact. energy: 0.899
local terms energy: -88.408324
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -21.959
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: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -288.493181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.493181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.493181 (E_RNA)
where:
Base-Base interactions energy: -193.514
where: short stacking energy: -88.586
Base-Backbone interact. energy: -0.602
local terms energy: -94.376757
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -14.429
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: 373
Temperature: 1.000000
Total energy: -284.256910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.256910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.256910 (E_RNA)
where:
Base-Base interactions energy: -193.353
where: short stacking energy: -81.827
Base-Backbone interact. energy: -0.085
local terms energy: -90.818991
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -265.069444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.069444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.069444 (E_RNA)
where:
Base-Base interactions energy: -183.119
where: short stacking energy: -78.662
Base-Backbone interact. energy: -0.113
local terms energy: -81.837457
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -17.844
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: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -268.397301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.397301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.397301 (E_RNA)
where:
Base-Base interactions energy: -184.750
where: short stacking energy: -79.256
Base-Backbone interact. energy: -0.041
local terms energy: -83.607066
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -22.708
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: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -231.627299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.627299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.627299 (E_RNA)
where:
Base-Base interactions energy: -152.438
where: short stacking energy: -64.381
Base-Backbone interact. energy: -0.127
local terms energy: -79.062009
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -9.829
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -228.937721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.937721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.937721 (E_RNA)
where:
Base-Base interactions energy: -155.475
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.160
local terms energy: -73.302909
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -247.007574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.007574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.007574 (E_RNA)
where:
Base-Base interactions energy: -175.797
where: short stacking energy: -63.475
Base-Backbone interact. energy: -1.107
local terms energy: -70.103413
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -213.431111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.431111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.431111 (E_RNA)
where:
Base-Base interactions energy: -138.228
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.031
local terms energy: -75.172024
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -77.679548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.679548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.679548 (E_RNA)
where:
Base-Base interactions energy: -19.376
where: short stacking energy: -17.533
Base-Backbone interact. energy: -0.326
local terms energy: -57.976894
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: 2.048
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: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -308.976238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.976238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.976238 (E_RNA)
where:
Base-Base interactions energy: -216.304
where: short stacking energy: -82.190
Base-Backbone interact. energy: 0.917
local terms energy: -93.589343
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -21.543
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -14.145
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: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -290.345542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.345542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.345542 (E_RNA)
where:
Base-Base interactions energy: -194.502
where: short stacking energy: -80.832
Base-Backbone interact. energy: -0.040
local terms energy: -95.803217
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -286.316930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.316930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.316930 (E_RNA)
where:
Base-Base interactions energy: -188.630
where: short stacking energy: -82.507
Base-Backbone interact. energy: -0.070
local terms energy: -97.617489
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -274.267314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.267314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.267314 (E_RNA)
where:
Base-Base interactions energy: -193.197
where: short stacking energy: -78.009
Base-Backbone interact. energy: -0.152
local terms energy: -80.917564
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -247.225042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.225042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.225042 (E_RNA)
where:
Base-Base interactions energy: -166.969
where: short stacking energy: -73.980
Base-Backbone interact. energy: 0.136
local terms energy: -80.392039
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -265.924016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.924016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.924016 (E_RNA)
where:
Base-Base interactions energy: -175.946
where: short stacking energy: -69.669
Base-Backbone interact. energy: -0.151
local terms energy: -89.827367
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -229.170795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.170795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.170795 (E_RNA)
where:
Base-Base interactions energy: -153.199
where: short stacking energy: -64.086
Base-Backbone interact. energy: -0.205
local terms energy: -75.767685
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -245.061563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.061563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.061563 (E_RNA)
where:
Base-Base interactions energy: -162.862
where: short stacking energy: -74.635
Base-Backbone interact. energy: -0.221
local terms energy: -81.978655
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -10.744
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: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -217.479465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.479465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.479465 (E_RNA)
where:
Base-Base interactions energy: -148.904
where: short stacking energy: -70.149
Base-Backbone interact. energy: -0.013
local terms energy: -68.562921
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -93.810045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.810045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.810045 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -26.851
Base-Backbone interact. energy: -0.407
local terms energy: -61.802543
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -307.830028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.830028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.830028 (E_RNA)
where:
Base-Base interactions energy: -219.801
where: short stacking energy: -78.502
Base-Backbone interact. energy: 0.265
local terms energy: -88.293916
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -293.667671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.667671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.667671 (E_RNA)
where:
Base-Base interactions energy: -202.684
where: short stacking energy: -85.085
Base-Backbone interact. energy: -0.014
local terms energy: -90.969376
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -25.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -287.253931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.253931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.253931 (E_RNA)
where:
Base-Base interactions energy: -194.256
where: short stacking energy: -94.258
Base-Backbone interact. energy: -0.063
local terms energy: -92.935092
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -277.857601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.857601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.857601 (E_RNA)
where:
Base-Base interactions energy: -192.619
where: short stacking energy: -82.354
Base-Backbone interact. energy: -0.679
local terms energy: -84.559788
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -236.877944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.877944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.877944 (E_RNA)
where:
Base-Base interactions energy: -160.862
where: short stacking energy: -73.740
Base-Backbone interact. energy: -0.099
local terms energy: -75.917287
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.424
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: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -243.376026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.376026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.376026 (E_RNA)
where:
Base-Base interactions energy: -159.418
where: short stacking energy: -67.316
Base-Backbone interact. energy: -0.137
local terms energy: -83.821212
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -225.532827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.532827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.532827 (E_RNA)
where:
Base-Base interactions energy: -145.185
where: short stacking energy: -68.537
Base-Backbone interact. energy: -0.041
local terms energy: -80.306521
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -220.572742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.572742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.572742 (E_RNA)
where:
Base-Base interactions energy: -145.447
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.043
local terms energy: -75.082927
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -11.512
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: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -226.776425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.776425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.776425 (E_RNA)
where:
Base-Base interactions energy: -143.605
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.102
local terms energy: -83.070049
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -9.082
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: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -97.003502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.003502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.003502 (E_RNA)
where:
Base-Base interactions energy: -38.708
where: short stacking energy: -31.721
Base-Backbone interact. energy: 0.034
local terms energy: -58.329259
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -298.612682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.612682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.612682 (E_RNA)
where:
Base-Base interactions energy: -206.960
where: short stacking energy: -83.694
Base-Backbone interact. energy: -0.057
local terms energy: -91.595746
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -26.155
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: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -294.721777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.721777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.721777 (E_RNA)
where:
Base-Base interactions energy: -208.997
where: short stacking energy: -80.329
Base-Backbone interact. energy: 0.663
local terms energy: -86.387769
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -295.033454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.033454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.033454 (E_RNA)
where:
Base-Base interactions energy: -199.430
where: short stacking energy: -84.524
Base-Backbone interact. energy: 0.523
local terms energy: -96.126120
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -25.509
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: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -272.801342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.801342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.801342 (E_RNA)
where:
Base-Base interactions energy: -194.957
where: short stacking energy: -82.327
Base-Backbone interact. energy: -0.361
local terms energy: -77.483418
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -243.729530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.729530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.729530 (E_RNA)
where:
Base-Base interactions energy: -166.878
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.418
local terms energy: -76.433072
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -15.967
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: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -237.933298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.933298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.933298 (E_RNA)
where:
Base-Base interactions energy: -148.656
where: short stacking energy: -69.263
Base-Backbone interact. energy: -0.142
local terms energy: -89.136182
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -230.415097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.415097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.415097 (E_RNA)
where:
Base-Base interactions energy: -160.628
where: short stacking energy: -72.555
Base-Backbone interact. energy: -0.006
local terms energy: -69.780747
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -13.986
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: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -207.345937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.345937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.345937 (E_RNA)
where:
Base-Base interactions energy: -126.743
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.139
local terms energy: -80.464780
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -235.330867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.330867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.330867 (E_RNA)
where:
Base-Base interactions energy: -160.681
where: short stacking energy: -69.312
Base-Backbone interact. energy: -0.299
local terms energy: -74.350338
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -18.841
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: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -94.173960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.173960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.173960 (E_RNA)
where:
Base-Base interactions energy: -33.812
where: short stacking energy: -31.584
Base-Backbone interact. energy: -0.423
local terms energy: -59.939379
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -292.672982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.672982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.672982 (E_RNA)
where:
Base-Base interactions energy: -198.915
where: short stacking energy: -90.295
Base-Backbone interact. energy: -0.955
local terms energy: -92.803174
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -306.703154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.703154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.703154 (E_RNA)
where:
Base-Base interactions energy: -216.068
where: short stacking energy: -81.593
Base-Backbone interact. energy: 0.473
local terms energy: -91.107893
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -283.492707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.492707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.492707 (E_RNA)
where:
Base-Base interactions energy: -186.672
where: short stacking energy: -82.916
Base-Backbone interact. energy: -0.176
local terms energy: -96.644767
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -27.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -276.386056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.386056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.386056 (E_RNA)
where:
Base-Base interactions energy: -190.625
where: short stacking energy: -74.222
Base-Backbone interact. energy: -0.255
local terms energy: -85.506347
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -24.514
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: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -264.095076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.095076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.095076 (E_RNA)
where:
Base-Base interactions energy: -175.137
where: short stacking energy: -76.261
Base-Backbone interact. energy: -0.073
local terms energy: -88.885113
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -26.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -264.088203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.088203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.088203 (E_RNA)
where:
Base-Base interactions energy: -178.134
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.157
local terms energy: -85.796997
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -12.077
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: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -209.270770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.270770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.270770 (E_RNA)
where:
Base-Base interactions energy: -146.676
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.396
local terms energy: -62.198439
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -237.128093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.128093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.128093 (E_RNA)
where:
Base-Base interactions energy: -155.227
where: short stacking energy: -70.664
Base-Backbone interact. energy: 0.322
local terms energy: -82.222566
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -201.289049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.289049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.289049 (E_RNA)
where:
Base-Base interactions energy: -134.609
where: short stacking energy: -52.656
Base-Backbone interact. energy: 1.688
local terms energy: -68.367747
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -100.489002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.489002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.489002 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -29.357
Base-Backbone interact. energy: -0.034
local terms energy: -63.803759
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -307.981500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.981500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.981500 (E_RNA)
where:
Base-Base interactions energy: -214.641
where: short stacking energy: -84.646
Base-Backbone interact. energy: 0.585
local terms energy: -93.925987
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -22.807
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: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -289.912719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.912719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.912719 (E_RNA)
where:
Base-Base interactions energy: -197.229
where: short stacking energy: -89.959
Base-Backbone interact. energy: -0.272
local terms energy: -92.411899
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -26.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -278.224922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.224922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.224922 (E_RNA)
where:
Base-Base interactions energy: -181.542
where: short stacking energy: -78.677
Base-Backbone interact. energy: -0.005
local terms energy: -96.678207
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -25.575
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: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -282.573792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.573792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.573792 (E_RNA)
where:
Base-Base interactions energy: -190.126
where: short stacking energy: -75.351
Base-Backbone interact. energy: -1.705
local terms energy: -90.742747
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -250.588213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.588213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.588213 (E_RNA)
where:
Base-Base interactions energy: -180.695
where: short stacking energy: -77.376
Base-Backbone interact. energy: 0.026
local terms energy: -69.918808
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -8.482
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.945
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: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -262.211086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.211086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.211086 (E_RNA)
where:
Base-Base interactions energy: -184.201
where: short stacking energy: -76.902
Base-Backbone interact. energy: 3.038
local terms energy: -81.048182
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -22.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -247.852191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.852191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.852191 (E_RNA)
where:
Base-Base interactions energy: -174.147
where: short stacking energy: -72.576
Base-Backbone interact. energy: -0.143
local terms energy: -73.562169
where:
bonds (distance) C4'-P energy: -4.475
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -23.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -224.463852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.463852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.463852 (E_RNA)
where:
Base-Base interactions energy: -148.273
where: short stacking energy: -65.950
Base-Backbone interact. energy: -1.020
local terms energy: -75.170982
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -224.504134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.504134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.504134 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.000
local terms energy: -76.958588
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -18.997
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: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -91.375611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.375611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.375611 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.065
local terms energy: -51.271239
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -3.009
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: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -306.646352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.646352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.646352 (E_RNA)
where:
Base-Base interactions energy: -216.949
where: short stacking energy: -84.215
Base-Backbone interact. energy: 0.858
local terms energy: -90.555390
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -294.411857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.411857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.411857 (E_RNA)
where:
Base-Base interactions energy: -206.420
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.365
local terms energy: -87.626851
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -23.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -269.818080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.818080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.818080 (E_RNA)
where:
Base-Base interactions energy: -179.627
where: short stacking energy: -81.536
Base-Backbone interact. energy: -0.922
local terms energy: -89.269178
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -24.510
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: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -271.316562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.316562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.316562 (E_RNA)
where:
Base-Base interactions energy: -185.525
where: short stacking energy: -83.992
Base-Backbone interact. energy: 2.658
local terms energy: -88.449961
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -14.244
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: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -256.769117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.769117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.769117 (E_RNA)
where:
Base-Base interactions energy: -177.681
where: short stacking energy: -72.121
Base-Backbone interact. energy: 0.755
local terms energy: -79.842361
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -243.074828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.074828 (E_RNA)
where:
Base-Base interactions energy: -163.996
where: short stacking energy: -61.736
Base-Backbone interact. energy: -0.331
local terms energy: -78.747719
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -17.752
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: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -228.078267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.078267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.078267 (E_RNA)
where:
Base-Base interactions energy: -150.267
where: short stacking energy: -66.161
Base-Backbone interact. energy: -0.066
local terms energy: -77.744779
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -224.836658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.836658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.836658 (E_RNA)
where:
Base-Base interactions energy: -141.862
where: short stacking energy: -59.623
Base-Backbone interact. energy: -0.142
local terms energy: -82.832549
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -17.567
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: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -227.033066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.033066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.033066 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -58.942
Base-Backbone interact. energy: -0.038
local terms energy: -88.517082
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -83.561256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.561256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.561256 (E_RNA)
where:
Base-Base interactions energy: -26.113
where: short stacking energy: -25.957
Base-Backbone interact. energy: -0.107
local terms energy: -57.341448
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: 0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -298.172737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.172737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.172737 (E_RNA)
where:
Base-Base interactions energy: -215.609
where: short stacking energy: -77.067
Base-Backbone interact. energy: 0.239
local terms energy: -82.802904
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -285.074946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.074946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.074946 (E_RNA)
where:
Base-Base interactions energy: -195.744
where: short stacking energy: -82.200
Base-Backbone interact. energy: -0.348
local terms energy: -88.983181
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -278.643877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.643877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.643877 (E_RNA)
where:
Base-Base interactions energy: -188.132
where: short stacking energy: -86.998
Base-Backbone interact. energy: -0.010
local terms energy: -90.502158
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -268.230002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.230002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.230002 (E_RNA)
where:
Base-Base interactions energy: -175.510
where: short stacking energy: -73.363
Base-Backbone interact. energy: -0.271
local terms energy: -92.449472
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -238.558589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.558589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.558589 (E_RNA)
where:
Base-Base interactions energy: -157.085
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.010
local terms energy: -81.463743
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -237.722746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.722746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.722746 (E_RNA)
where:
Base-Base interactions energy: -158.067
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.206
local terms energy: -79.449268
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -234.151681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.151681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.151681 (E_RNA)
where:
Base-Base interactions energy: -151.443
where: short stacking energy: -61.764
Base-Backbone interact. energy: 0.205
local terms energy: -82.912860
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -228.535964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.535964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.535964 (E_RNA)
where:
Base-Base interactions energy: -152.293
where: short stacking energy: -58.391
Base-Backbone interact. energy: 0.448
local terms energy: -76.690616
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -11.156
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: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -218.407891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.407891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.407891 (E_RNA)
where:
Base-Base interactions energy: -138.268
where: short stacking energy: -60.565
Base-Backbone interact. energy: -0.426
local terms energy: -79.713350
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -90.622607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.622607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.622607 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -25.134
Base-Backbone interact. energy: 1.191
local terms energy: -57.915215
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -3.775
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: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -305.889989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.889989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.889989 (E_RNA)
where:
Base-Base interactions energy: -215.608
where: short stacking energy: -83.969
Base-Backbone interact. energy: 0.381
local terms energy: -90.662511
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -280.530194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.530194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.530194 (E_RNA)
where:
Base-Base interactions energy: -182.471
where: short stacking energy: -77.617
Base-Backbone interact. energy: -1.140
local terms energy: -96.919957
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -276.614511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.614511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.614511 (E_RNA)
where:
Base-Base interactions energy: -193.768
where: short stacking energy: -80.897
Base-Backbone interact. energy: -0.926
local terms energy: -81.920719
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -265.032739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.032739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.032739 (E_RNA)
where:
Base-Base interactions energy: -176.433
where: short stacking energy: -76.011
Base-Backbone interact. energy: -0.655
local terms energy: -87.944682
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -24.963
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: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -267.568315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.568315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.568315 (E_RNA)
where:
Base-Base interactions energy: -178.395
where: short stacking energy: -76.155
Base-Backbone interact. energy: 0.197
local terms energy: -89.370968
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -22.831
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: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -229.353218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.353218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.353218 (E_RNA)
where:
Base-Base interactions energy: -140.211
where: short stacking energy: -63.231
Base-Backbone interact. energy: -0.058
local terms energy: -89.084275
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -239.605787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.605787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.605787 (E_RNA)
where:
Base-Base interactions energy: -152.850
where: short stacking energy: -73.406
Base-Backbone interact. energy: -0.090
local terms energy: -86.665114
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -23.809
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: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -216.594317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.594317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.594317 (E_RNA)
where:
Base-Base interactions energy: -136.569
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.363
local terms energy: -79.662747
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -214.730234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.730234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.730234 (E_RNA)
where:
Base-Base interactions energy: -136.576
where: short stacking energy: -60.129
Base-Backbone interact. energy: 0.804
local terms energy: -78.958015
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -16.812
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: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -83.488953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.488953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.488953 (E_RNA)
where:
Base-Base interactions energy: -29.064
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.195
local terms energy: -54.230192
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -0.513
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: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -289.882349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.882349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.882349 (E_RNA)
where:
Base-Base interactions energy: -187.535
where: short stacking energy: -80.594
Base-Backbone interact. energy: -0.182
local terms energy: -102.165409
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -17.672
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: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -296.691580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.691580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.691580 (E_RNA)
where:
Base-Base interactions energy: -211.587
where: short stacking energy: -80.039
Base-Backbone interact. energy: 0.549
local terms energy: -85.653772
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -287.552791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.552791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.552791 (E_RNA)
where:
Base-Base interactions energy: -183.866
where: short stacking energy: -85.033
Base-Backbone interact. energy: -0.084
local terms energy: -103.603308
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -27.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -272.887147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.887147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.887147 (E_RNA)
where:
Base-Base interactions energy: -185.016
where: short stacking energy: -74.316
Base-Backbone interact. energy: -0.175
local terms energy: -87.696507
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -258.357798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.357798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.357798 (E_RNA)
where:
Base-Base interactions energy: -184.677
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.061
local terms energy: -73.619793
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -253.616932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.616932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.616932 (E_RNA)
where:
Base-Base interactions energy: -176.029
where: short stacking energy: -80.756
Base-Backbone interact. energy: -0.069
local terms energy: -77.518999
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -224.860911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.860911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.860911 (E_RNA)
where:
Base-Base interactions energy: -145.523
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.260
local terms energy: -79.077681
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -237.345432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.345432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.345432 (E_RNA)
where:
Base-Base interactions energy: -160.413
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.294
local terms energy: -76.638304
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -13.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -222.669848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.669848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.669848 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -62.709
Base-Backbone interact. energy: -0.286
local terms energy: -73.064507
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -85.022339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.022339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.022339 (E_RNA)
where:
Base-Base interactions energy: -32.394
where: short stacking energy: -28.188
Base-Backbone interact. energy: -0.488
local terms energy: -52.140248
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -7.570
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -300.540362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.540362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.540362 (E_RNA)
where:
Base-Base interactions energy: -196.795
where: short stacking energy: -87.965
Base-Backbone interact. energy: -0.097
local terms energy: -103.648367
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -28.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -287.029731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.029731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.029731 (E_RNA)
where:
Base-Base interactions energy: -195.846
where: short stacking energy: -81.189
Base-Backbone interact. energy: 1.652
local terms energy: -92.835722
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -293.646366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.646366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.646366 (E_RNA)
where:
Base-Base interactions energy: -205.806
where: short stacking energy: -79.741
Base-Backbone interact. energy: 0.601
local terms energy: -88.441257
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -21.969
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: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -285.605446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.605446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.605446 (E_RNA)
where:
Base-Base interactions energy: -195.854
where: short stacking energy: -76.836
Base-Backbone interact. energy: -0.079
local terms energy: -89.672343
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -260.058364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.058364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.058364 (E_RNA)
where:
Base-Base interactions energy: -177.927
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.108
local terms energy: -82.023689
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -17.272
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: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -252.662251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.662251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.662251 (E_RNA)
where:
Base-Base interactions energy: -168.419
where: short stacking energy: -72.382
Base-Backbone interact. energy: -0.070
local terms energy: -84.173083
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -21.113
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: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -243.701349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.701349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.701349 (E_RNA)
where:
Base-Base interactions energy: -164.373
where: short stacking energy: -69.404
Base-Backbone interact. energy: -0.128
local terms energy: -79.200093
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -19.598
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: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -217.694273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.694273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.694273 (E_RNA)
where:
Base-Base interactions energy: -134.533
where: short stacking energy: -61.841
Base-Backbone interact. energy: -0.075
local terms energy: -83.086015
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -20.907
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: 383
Temperature: 1.300000
Total energy: -224.191729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.191729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.191729 (E_RNA)
where:
Base-Base interactions energy: -140.545
where: short stacking energy: -59.748
Base-Backbone interact. energy: -0.272
local terms energy: -83.374230
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -21.652
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -15.561
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: 383
Temperature: 1.350000
Total energy: -84.844697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.844697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.844697 (E_RNA)
where:
Base-Base interactions energy: -31.280
where: short stacking energy: -23.213
Base-Backbone interact. energy: -0.062
local terms energy: -53.502043
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -2.844
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: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -291.226833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.226833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.226833 (E_RNA)
where:
Base-Base interactions energy: -192.616
where: short stacking energy: -85.036
Base-Backbone interact. energy: -0.067
local terms energy: -98.543783
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -26.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -286.722905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.722905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.722905 (E_RNA)
where:
Base-Base interactions energy: -189.547
where: short stacking energy: -80.358
Base-Backbone interact. energy: -0.018
local terms energy: -97.157760
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -11.784
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: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -295.550031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.550031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.550031 (E_RNA)
where:
Base-Base interactions energy: -202.738
where: short stacking energy: -73.218
Base-Backbone interact. energy: 0.335
local terms energy: -93.147066
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -20.553
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: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -276.993541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.993541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.993541 (E_RNA)
where:
Base-Base interactions energy: -193.190
where: short stacking energy: -81.977
Base-Backbone interact. energy: -0.021
local terms energy: -83.783035
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -24.432
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: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -276.224356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.224356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.224356 (E_RNA)
where:
Base-Base interactions energy: -182.200
where: short stacking energy: -84.623
Base-Backbone interact. energy: -0.133
local terms energy: -93.890742
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -16.307
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: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -237.088979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.088979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.088979 (E_RNA)
where:
Base-Base interactions energy: -153.938
where: short stacking energy: -66.452
Base-Backbone interact. energy: -0.277
local terms energy: -82.873601
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -17.289
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: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -222.282066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.282066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.282066 (E_RNA)
where:
Base-Base interactions energy: -143.497
where: short stacking energy: -58.575
Base-Backbone interact. energy: -0.119
local terms energy: -78.665977
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -257.535163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.535163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.535163 (E_RNA)
where:
Base-Base interactions energy: -173.011
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.155
local terms energy: -84.369156
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -12.492
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: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -220.260425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.260425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.260425 (E_RNA)
where:
Base-Base interactions energy: -146.146
where: short stacking energy: -68.278
Base-Backbone interact. energy: -0.212
local terms energy: -73.902480
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -96.983852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.983852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.983852 (E_RNA)
where:
Base-Base interactions energy: -44.136
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.357
local terms energy: -52.490547
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: 2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -291.892333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.892333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.892333 (E_RNA)
where:
Base-Base interactions energy: -187.160
where: short stacking energy: -85.999
Base-Backbone interact. energy: -0.013
local terms energy: -104.718533
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -29.674
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: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -293.591898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.591898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.591898 (E_RNA)
where:
Base-Base interactions energy: -194.579
where: short stacking energy: -75.384
Base-Backbone interact. energy: -0.150
local terms energy: -98.863079
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -294.756794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.756794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.756794 (E_RNA)
where:
Base-Base interactions energy: -210.028
where: short stacking energy: -78.603
Base-Backbone interact. energy: 0.052
local terms energy: -84.780327
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.280
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: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -270.801239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.801239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.801239 (E_RNA)
where:
Base-Base interactions energy: -183.575
where: short stacking energy: -85.344
Base-Backbone interact. energy: -0.027
local terms energy: -87.198804
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -23.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -255.066107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.066107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.066107 (E_RNA)
where:
Base-Base interactions energy: -163.915
where: short stacking energy: -77.336
Base-Backbone interact. energy: -0.105
local terms energy: -91.046843
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -12.233
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: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -259.810405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.810405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.810405 (E_RNA)
where:
Base-Base interactions energy: -163.644
where: short stacking energy: -73.795
Base-Backbone interact. energy: -0.415
local terms energy: -95.751431
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -228.361519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.361519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.361519 (E_RNA)
where:
Base-Base interactions energy: -142.820
where: short stacking energy: -66.029
Base-Backbone interact. energy: -0.219
local terms energy: -85.322256
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -20.287
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: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -228.472155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.472155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.472155 (E_RNA)
where:
Base-Base interactions energy: -146.996
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.184
local terms energy: -81.292005
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -16.640
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: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -204.536576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.536576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.536576 (E_RNA)
where:
Base-Base interactions energy: -131.357
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.180
local terms energy: -72.999932
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -93.393444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.393444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.393444 (E_RNA)
where:
Base-Base interactions energy: -30.639
where: short stacking energy: -21.284
Base-Backbone interact. energy: -0.171
local terms energy: -62.583236
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -290.003382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.003382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.003382 (E_RNA)
where:
Base-Base interactions energy: -186.370
where: short stacking energy: -83.212
Base-Backbone interact. energy: -0.575
local terms energy: -103.058056
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -26.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -303.575541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.575541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.575541 (E_RNA)
where:
Base-Base interactions energy: -207.874
where: short stacking energy: -78.043
Base-Backbone interact. energy: 2.476
local terms energy: -98.177776
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -287.987081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.987081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.987081 (E_RNA)
where:
Base-Base interactions energy: -192.192
where: short stacking energy: -78.171
Base-Backbone interact. energy: -0.066
local terms energy: -95.729883
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -12.696
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: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -276.710664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.710664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.710664 (E_RNA)
where:
Base-Base interactions energy: -183.869
where: short stacking energy: -84.197
Base-Backbone interact. energy: -0.002
local terms energy: -92.839859
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -27.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -265.864021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.864021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.864021 (E_RNA)
where:
Base-Base interactions energy: -175.616
where: short stacking energy: -81.371
Base-Backbone interact. energy: -0.018
local terms energy: -90.229618
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -247.426071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.426071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.426071 (E_RNA)
where:
Base-Base interactions energy: -179.775
where: short stacking energy: -71.701
Base-Backbone interact. energy: -0.129
local terms energy: -67.522285
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -232.806014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.806014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.806014 (E_RNA)
where:
Base-Base interactions energy: -157.788
where: short stacking energy: -58.991
Base-Backbone interact. energy: 0.346
local terms energy: -75.364662
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -13.821
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: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -230.638042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.638042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.638042 (E_RNA)
where:
Base-Base interactions energy: -158.271
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.118
local terms energy: -72.248965
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -166.190767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.190767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.190767 (E_RNA)
where:
Base-Base interactions energy: -99.420
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.051
local terms energy: -66.719546
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -7.059
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: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -110.258064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.258064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.258064 (E_RNA)
where:
Base-Base interactions energy: -48.955
where: short stacking energy: -31.273
Base-Backbone interact. energy: -0.012
local terms energy: -61.291252
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -289.808307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.808307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.808307 (E_RNA)
where:
Base-Base interactions energy: -193.216
where: short stacking energy: -90.216
Base-Backbone interact. energy: -1.208
local terms energy: -95.384230
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -26.547
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: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -297.701257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.701257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.701257 (E_RNA)
where:
Base-Base interactions energy: -213.370
where: short stacking energy: -73.176
Base-Backbone interact. energy: 0.288
local terms energy: -84.619065
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -279.427234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.427234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.427234 (E_RNA)
where:
Base-Base interactions energy: -190.406
where: short stacking energy: -91.917
Base-Backbone interact. energy: -0.131
local terms energy: -88.890739
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -25.787
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: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -261.059595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.059595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.059595 (E_RNA)
where:
Base-Base interactions energy: -179.131
where: short stacking energy: -81.480
Base-Backbone interact. energy: -0.003
local terms energy: -81.925201
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -27.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -273.309649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.309649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.309649 (E_RNA)
where:
Base-Base interactions energy: -180.520
where: short stacking energy: -73.327
Base-Backbone interact. energy: 0.013
local terms energy: -92.802040
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -26.355
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: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -258.837215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.837215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.837215 (E_RNA)
where:
Base-Base interactions energy: -172.217
where: short stacking energy: -78.535
Base-Backbone interact. energy: 0.232
local terms energy: -86.851389
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -24.144
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: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -238.680534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.680534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.680534 (E_RNA)
where:
Base-Base interactions energy: -154.993
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.976
local terms energy: -82.711555
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -15.378
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: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -164.334178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.334178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.334178 (E_RNA)
where:
Base-Base interactions energy: -98.989
where: short stacking energy: -51.307
Base-Backbone interact. energy: -0.243
local terms energy: -65.101312
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -9.818
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: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -226.383506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.383506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.383506 (E_RNA)
where:
Base-Base interactions energy: -140.468
where: short stacking energy: -62.346
Base-Backbone interact. energy: -0.737
local terms energy: -85.178678
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -88.950373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.950373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.950373 (E_RNA)
where:
Base-Base interactions energy: -44.714
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.152
local terms energy: -44.083975
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -308.438707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.438707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.438707 (E_RNA)
where:
Base-Base interactions energy: -212.660
where: short stacking energy: -81.876
Base-Backbone interact. energy: 0.164
local terms energy: -95.943342
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -15.703
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: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -284.106712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.106712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.106712 (E_RNA)
where:
Base-Base interactions energy: -187.625
where: short stacking energy: -86.149
Base-Backbone interact. energy: -0.013
local terms energy: -96.468140
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -30.150
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -278.557048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.557048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.557048 (E_RNA)
where:
Base-Base interactions energy: -186.944
where: short stacking energy: -75.977
Base-Backbone interact. energy: -0.217
local terms energy: -91.395794
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -20.173
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: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -270.338688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.338688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.338688 (E_RNA)
where:
Base-Base interactions energy: -179.138
where: short stacking energy: -83.076
Base-Backbone interact. energy: -0.028
local terms energy: -91.171941
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -27.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -264.578102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.578102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.578102 (E_RNA)
where:
Base-Base interactions energy: -176.092
where: short stacking energy: -84.249
Base-Backbone interact. energy: -0.000
local terms energy: -88.486085
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -245.142400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.142400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.142400 (E_RNA)
where:
Base-Base interactions energy: -161.179
where: short stacking energy: -67.778
Base-Backbone interact. energy: -1.069
local terms energy: -82.894829
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -232.073077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.073077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.073077 (E_RNA)
where:
Base-Base interactions energy: -150.814
where: short stacking energy: -69.194
Base-Backbone interact. energy: -0.149
local terms energy: -81.109725
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -22.474
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -185.085743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.085743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.085743 (E_RNA)
where:
Base-Base interactions energy: -122.237
where: short stacking energy: -45.897
Base-Backbone interact. energy: -0.566
local terms energy: -62.282600
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -219.072985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.072985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.072985 (E_RNA)
where:
Base-Base interactions energy: -143.916
where: short stacking energy: -56.933
Base-Backbone interact. energy: -0.156
local terms energy: -75.000285
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -15.405
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: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -88.581007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.581007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.581007 (E_RNA)
where:
Base-Base interactions energy: -32.111
where: short stacking energy: -27.192
Base-Backbone interact. energy: 1.644
local terms energy: -58.114039
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -300.954641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.954641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.954641 (E_RNA)
where:
Base-Base interactions energy: -210.221
where: short stacking energy: -76.967
Base-Backbone interact. energy: 0.469
local terms energy: -91.202396
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -277.136691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.136691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.136691 (E_RNA)
where:
Base-Base interactions energy: -189.595
where: short stacking energy: -80.177
Base-Backbone interact. energy: -0.066
local terms energy: -87.475408
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -281.469945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.469945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.469945 (E_RNA)
where:
Base-Base interactions energy: -183.176
where: short stacking energy: -89.351
Base-Backbone interact. energy: -0.055
local terms energy: -98.239229
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -14.376
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: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -282.931104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.931104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.931104 (E_RNA)
where:
Base-Base interactions energy: -181.477
where: short stacking energy: -81.922
Base-Backbone interact. energy: -0.096
local terms energy: -101.357666
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -13.662
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: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -274.549014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.549014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.549014 (E_RNA)
where:
Base-Base interactions energy: -181.879
where: short stacking energy: -75.362
Base-Backbone interact. energy: -0.210
local terms energy: -92.459792
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -245.255541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.255541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.255541 (E_RNA)
where:
Base-Base interactions energy: -164.305
where: short stacking energy: -66.470
Base-Backbone interact. energy: 0.565
local terms energy: -81.516296
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -246.215860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.215860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.215860 (E_RNA)
where:
Base-Base interactions energy: -162.188
where: short stacking energy: -73.132
Base-Backbone interact. energy: -0.372
local terms energy: -83.655332
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -12.332
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: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -223.563909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.563909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.563909 (E_RNA)
where:
Base-Base interactions energy: -157.759
where: short stacking energy: -64.722
Base-Backbone interact. energy: -0.113
local terms energy: -65.691749
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -154.316801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.316801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.316801 (E_RNA)
where:
Base-Base interactions energy: -98.430
where: short stacking energy: -50.109
Base-Backbone interact. energy: 0.182
local terms energy: -56.068976
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -94.686459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.686459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.686459 (E_RNA)
where:
Base-Base interactions energy: -40.828
where: short stacking energy: -24.045
Base-Backbone interact. energy: 2.411
local terms energy: -56.270164
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -11.020
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: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -301.971492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.971492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.971492 (E_RNA)
where:
Base-Base interactions energy: -215.074
where: short stacking energy: -76.112
Base-Backbone interact. energy: 0.405
local terms energy: -87.302946
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -287.479315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.479315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.479315 (E_RNA)
where:
Base-Base interactions energy: -192.616
where: short stacking energy: -80.067
Base-Backbone interact. energy: -0.034
local terms energy: -94.829718
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -23.792
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: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -272.097492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.097492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.097492 (E_RNA)
where:
Base-Base interactions energy: -183.579
where: short stacking energy: -79.228
Base-Backbone interact. energy: 0.051
local terms energy: -88.568985
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -10.395
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: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -268.343090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.343090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.343090 (E_RNA)
where:
Base-Base interactions energy: -180.425
where: short stacking energy: -86.281
Base-Backbone interact. energy: -0.326
local terms energy: -87.591818
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -12.249
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: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -270.166238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.166238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.166238 (E_RNA)
where:
Base-Base interactions energy: -174.512
where: short stacking energy: -76.648
Base-Backbone interact. energy: -0.011
local terms energy: -95.643466
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -26.797
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: 390
Temperature: 1.150000
Total energy: -244.291003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.291003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.291003 (E_RNA)
where:
Base-Base interactions energy: -171.771
where: short stacking energy: -61.232
Base-Backbone interact. energy: -0.224
local terms energy: -72.295735
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -250.701112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.701112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.701112 (E_RNA)
where:
Base-Base interactions energy: -170.530
where: short stacking energy: -80.483
Base-Backbone interact. energy: -0.029
local terms energy: -80.142209
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -236.156628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.156628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.156628 (E_RNA)
where:
Base-Base interactions energy: -159.409
where: short stacking energy: -76.916
Base-Backbone interact. energy: -0.020
local terms energy: -76.727613
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -189.081882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.081882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.081882 (E_RNA)
where:
Base-Base interactions energy: -124.655
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.747
local terms energy: -63.680032
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -6.875
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: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -84.094915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.094915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.094915 (E_RNA)
where:
Base-Base interactions energy: -24.361
where: short stacking energy: -24.361
Base-Backbone interact. energy: -0.267
local terms energy: -59.467249
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -298.114166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.114166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.114166 (E_RNA)
where:
Base-Base interactions energy: -199.887
where: short stacking energy: -76.947
Base-Backbone interact. energy: -1.036
local terms energy: -97.190580
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -17.360
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: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -295.322908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.322908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.322908 (E_RNA)
where:
Base-Base interactions energy: -194.645
where: short stacking energy: -89.783
Base-Backbone interact. energy: 0.824
local terms energy: -101.501363
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -17.364
tors. eta vs tors. theta energy: -27.954
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: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -272.025631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.025631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.025631 (E_RNA)
where:
Base-Base interactions energy: -182.079
where: short stacking energy: -80.130
Base-Backbone interact. energy: -0.153
local terms energy: -89.793669
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -264.250048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.250048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.250048 (E_RNA)
where:
Base-Base interactions energy: -175.291
where: short stacking energy: -82.340
Base-Backbone interact. energy: -0.326
local terms energy: -88.633410
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -259.673695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.673695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.673695 (E_RNA)
where:
Base-Base interactions energy: -180.020
where: short stacking energy: -79.095
Base-Backbone interact. energy: -0.104
local terms energy: -79.549245
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -23.047
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: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -247.054640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.054640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.054640 (E_RNA)
where:
Base-Base interactions energy: -167.095
where: short stacking energy: -76.534
Base-Backbone interact. energy: -0.034
local terms energy: -79.925394
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -266.515564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.515564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.515564 (E_RNA)
where:
Base-Base interactions energy: -178.506
where: short stacking energy: -83.661
Base-Backbone interact. energy: -0.006
local terms energy: -88.004118
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -27.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -245.229866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.229866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.229866 (E_RNA)
where:
Base-Base interactions energy: -159.671
where: short stacking energy: -72.414
Base-Backbone interact. energy: -0.005
local terms energy: -85.554353
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -186.118135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.118135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.118135 (E_RNA)
where:
Base-Base interactions energy: -114.173
where: short stacking energy: -46.925
Base-Backbone interact. energy: -0.088
local terms energy: -71.857572
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -92.600974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.600974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.600974 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.292
local terms energy: -57.841607
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -3.358
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: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -299.576939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.576939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.576939 (E_RNA)
where:
Base-Base interactions energy: -209.342
where: short stacking energy: -84.723
Base-Backbone interact. energy: 0.709
local terms energy: -90.944364
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -22.331
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: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -284.460299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.460299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.460299 (E_RNA)
where:
Base-Base interactions energy: -189.056
where: short stacking energy: -91.439
Base-Backbone interact. energy: -0.281
local terms energy: -95.123629
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -14.262
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: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -272.854822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.854822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.854822 (E_RNA)
where:
Base-Base interactions energy: -181.378
where: short stacking energy: -79.192
Base-Backbone interact. energy: 1.380
local terms energy: -92.856486
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -23.213
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: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -272.298205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.298205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.298205 (E_RNA)
where:
Base-Base interactions energy: -184.762
where: short stacking energy: -75.065
Base-Backbone interact. energy: -0.065
local terms energy: -87.470681
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -11.555
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: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -249.772152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.772152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.772152 (E_RNA)
where:
Base-Base interactions energy: -163.421
where: short stacking energy: -78.477
Base-Backbone interact. energy: -0.070
local terms energy: -86.280994
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -13.343
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: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -240.446258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.446258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.446258 (E_RNA)
where:
Base-Base interactions energy: -160.125
where: short stacking energy: -70.155
Base-Backbone interact. energy: -1.302
local terms energy: -79.019303
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -259.986342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.986342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.986342 (E_RNA)
where:
Base-Base interactions energy: -181.426
where: short stacking energy: -66.943
Base-Backbone interact. energy: -0.163
local terms energy: -78.397254
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -18.318
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: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -223.370588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.370588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.370588 (E_RNA)
where:
Base-Base interactions energy: -143.924
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.701
local terms energy: -78.746250
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -16.093
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: 392
Temperature: 1.300000
Total energy: -159.091891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.091891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.091891 (E_RNA)
where:
Base-Base interactions energy: -98.875
where: short stacking energy: -39.008
Base-Backbone interact. energy: 0.707
local terms energy: -60.924187
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -6.713
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.828412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.828412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.828412 (E_RNA)
where:
Base-Base interactions energy: -32.656
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.390
local terms energy: -46.782439
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: 5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -304.251304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.251304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.251304 (E_RNA)
where:
Base-Base interactions energy: -215.626
where: short stacking energy: -86.509
Base-Backbone interact. energy: 3.580
local terms energy: -92.204993
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -22.174
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: 393
Temperature: 0.950000
Total energy: -286.680156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.680156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.680156 (E_RNA)
where:
Base-Base interactions energy: -186.872
where: short stacking energy: -80.077
Base-Backbone interact. energy: -0.130
local terms energy: -99.677810
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -26.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -282.460333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.460333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.460333 (E_RNA)
where:
Base-Base interactions energy: -187.504
where: short stacking energy: -80.675
Base-Backbone interact. energy: 1.328
local terms energy: -96.284303
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -16.726
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: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -247.902322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.902322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.902322 (E_RNA)
where:
Base-Base interactions energy: -162.530
where: short stacking energy: -67.999
Base-Backbone interact. energy: 0.781
local terms energy: -86.153288
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -254.833993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.833993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.833993 (E_RNA)
where:
Base-Base interactions energy: -174.187
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.145
local terms energy: -80.502029
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -248.459273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.459273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.459273 (E_RNA)
where:
Base-Base interactions energy: -156.913
where: short stacking energy: -70.420
Base-Backbone interact. energy: -0.100
local terms energy: -91.446824
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -22.971
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: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -230.999013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.999013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999013 (E_RNA)
where:
Base-Base interactions energy: -151.560
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.406
local terms energy: -79.033187
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -237.430893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.430893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.430893 (E_RNA)
where:
Base-Base interactions energy: -162.575
where: short stacking energy: -62.905
Base-Backbone interact. energy: -0.277
local terms energy: -74.579594
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -146.359092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.359092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.359092 (E_RNA)
where:
Base-Base interactions energy: -88.926
where: short stacking energy: -35.837
Base-Backbone interact. energy: 2.157
local terms energy: -59.590159
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -90.648287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648287 (E_RNA)
where:
Base-Base interactions energy: -28.787
where: short stacking energy: -20.719
Base-Backbone interact. energy: -0.451
local terms energy: -61.409850
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -293.539775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.539775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.539775 (E_RNA)
where:
Base-Base interactions energy: -189.824
where: short stacking energy: -93.567
Base-Backbone interact. energy: 0.944
local terms energy: -104.659411
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -29.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -305.392146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.392146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.392146 (E_RNA)
where:
Base-Base interactions energy: -209.367
where: short stacking energy: -84.151
Base-Backbone interact. energy: 2.287
local terms energy: -98.312367
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -228.680268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.680268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.680268 (E_RNA)
where:
Base-Base interactions energy: -141.676
where: short stacking energy: -70.114
Base-Backbone interact. energy: -0.498
local terms energy: -86.505464
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -276.087120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.087120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.087120 (E_RNA)
where:
Base-Base interactions energy: -181.346
where: short stacking energy: -71.563
Base-Backbone interact. energy: -0.377
local terms energy: -94.364860
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -264.754634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.754634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.754634 (E_RNA)
where:
Base-Base interactions energy: -181.629
where: short stacking energy: -82.385
Base-Backbone interact. energy: -0.086
local terms energy: -83.038996
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -22.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -248.343144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.343144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.343144 (E_RNA)
where:
Base-Base interactions energy: -157.966
where: short stacking energy: -65.373
Base-Backbone interact. energy: -0.214
local terms energy: -90.163155
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -21.477
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: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -257.651559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.651559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.651559 (E_RNA)
where:
Base-Base interactions energy: -182.211
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.092
local terms energy: -75.347931
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -238.484336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.484336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.484336 (E_RNA)
where:
Base-Base interactions energy: -169.874
where: short stacking energy: -65.384
Base-Backbone interact. energy: -0.246
local terms energy: -68.364249
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -9.201
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -94.306220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.306220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.306220 (E_RNA)
where:
Base-Base interactions energy: -40.207
where: short stacking energy: -31.505
Base-Backbone interact. energy: 0.475
local terms energy: -54.574540
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -1.654
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: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -107.616460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.616460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.616460 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -30.625
Base-Backbone interact. energy: 2.115
local terms energy: -62.617583
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -1.481
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: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -296.370575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.370575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.370575 (E_RNA)
where:
Base-Base interactions energy: -196.126
where: short stacking energy: -89.390
Base-Backbone interact. energy: -0.006
local terms energy: -100.238867
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -28.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -301.237781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.237781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.237781 (E_RNA)
where:
Base-Base interactions energy: -210.351
where: short stacking energy: -81.101
Base-Backbone interact. energy: 1.002
local terms energy: -91.889046
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -245.060671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.060671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.060671 (E_RNA)
where:
Base-Base interactions energy: -165.882
where: short stacking energy: -76.427
Base-Backbone interact. energy: -0.492
local terms energy: -78.687116
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -18.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -282.739709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.739709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.739709 (E_RNA)
where:
Base-Base interactions energy: -186.980
where: short stacking energy: -93.461
Base-Backbone interact. energy: -0.035
local terms energy: -95.724711
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -29.134
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -269.747941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.747941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.747941 (E_RNA)
where:
Base-Base interactions energy: -189.980
where: short stacking energy: -78.477
Base-Backbone interact. energy: -0.075
local terms energy: -79.693373
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -271.844400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.844400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.844400 (E_RNA)
where:
Base-Base interactions energy: -186.941
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.146
local terms energy: -84.757533
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -241.815546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.815546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.815546 (E_RNA)
where:
Base-Base interactions energy: -155.319
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.060
local terms energy: -86.436145
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -15.942
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: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -207.674858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.674858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.674858 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -56.641
Base-Backbone interact. energy: -0.387
local terms energy: -68.799117
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -87.539781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.539781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.539781 (E_RNA)
where:
Base-Base interactions energy: -21.771
where: short stacking energy: -21.771
Base-Backbone interact. energy: -0.260
local terms energy: -65.508483
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -91.683969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.683969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.683969 (E_RNA)
where:
Base-Base interactions energy: -28.958
where: short stacking energy: -26.846
Base-Backbone interact. energy: -0.212
local terms energy: -62.513197
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -1.045
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: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -296.749981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.749981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.749981 (E_RNA)
where:
Base-Base interactions energy: -213.234
where: short stacking energy: -73.797
Base-Backbone interact. energy: 2.093
local terms energy: -85.609288
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -290.606217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.606217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.606217 (E_RNA)
where:
Base-Base interactions energy: -188.486
where: short stacking energy: -90.534
Base-Backbone interact. energy: -0.005
local terms energy: -102.115389
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -30.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -280.265653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.265653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.265653 (E_RNA)
where:
Base-Base interactions energy: -182.253
where: short stacking energy: -77.207
Base-Backbone interact. energy: -0.392
local terms energy: -97.621250
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -26.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -261.521066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.521066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.521066 (E_RNA)
where:
Base-Base interactions energy: -175.351
where: short stacking energy: -79.959
Base-Backbone interact. energy: 0.332
local terms energy: -86.502229
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -265.599554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.599554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.599554 (E_RNA)
where:
Base-Base interactions energy: -176.456
where: short stacking energy: -77.076
Base-Backbone interact. energy: -0.068
local terms energy: -89.075959
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -25.424
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: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -249.526880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.526880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.526880 (E_RNA)
where:
Base-Base interactions energy: -170.236
where: short stacking energy: -70.631
Base-Backbone interact. energy: -0.203
local terms energy: -79.087935
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -2.794
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -227.542148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.542148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.542148 (E_RNA)
where:
Base-Base interactions energy: -155.793
where: short stacking energy: -67.672
Base-Backbone interact. energy: -0.346
local terms energy: -71.403578
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -8.459
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -15.367
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: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -200.791634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.791634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.791634 (E_RNA)
where:
Base-Base interactions energy: -124.869
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.036
local terms energy: -75.886067
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -95.421600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.421600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.421600 (E_RNA)
where:
Base-Base interactions energy: -38.997
where: short stacking energy: -25.529
Base-Backbone interact. energy: -0.741
local terms energy: -55.682857
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: 2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -100.970640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.970640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.970640 (E_RNA)
where:
Base-Base interactions energy: -45.609
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.120
local terms energy: -55.242479
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -306.384408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.384408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.384408 (E_RNA)
where:
Base-Base interactions energy: -221.244
where: short stacking energy: -74.783
Base-Backbone interact. energy: 0.421
local terms energy: -85.560536
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -287.145467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.145467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.145467 (E_RNA)
where:
Base-Base interactions energy: -205.106
where: short stacking energy: -83.398
Base-Backbone interact. energy: -0.204
local terms energy: -81.835369
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -288.238141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.238141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.238141 (E_RNA)
where:
Base-Base interactions energy: -194.397
where: short stacking energy: -97.073
Base-Backbone interact. energy: -0.780
local terms energy: -93.061207
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -28.374
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: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -269.083431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.083431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.083431 (E_RNA)
where:
Base-Base interactions energy: -171.637
where: short stacking energy: -78.946
Base-Backbone interact. energy: 0.209
local terms energy: -97.655049
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -27.805
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: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -247.551401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.551401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.551401 (E_RNA)
where:
Base-Base interactions energy: -162.705
where: short stacking energy: -72.165
Base-Backbone interact. energy: -0.071
local terms energy: -84.774979
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -266.612356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.612356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.612356 (E_RNA)
where:
Base-Base interactions energy: -171.282
where: short stacking energy: -74.407
Base-Backbone interact. energy: -0.011
local terms energy: -95.319859
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -23.805
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: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -243.819179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.819179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.819179 (E_RNA)
where:
Base-Base interactions energy: -153.946
where: short stacking energy: -56.747
Base-Backbone interact. energy: -0.045
local terms energy: -89.828094
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -13.307
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: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -214.488045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.488045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.488045 (E_RNA)
where:
Base-Base interactions energy: -145.143
where: short stacking energy: -67.590
Base-Backbone interact. energy: -0.207
local terms energy: -69.137573
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -91.495086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.495086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.495086 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -24.758
Base-Backbone interact. energy: -0.180
local terms energy: -53.588418
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -6.306
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: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -88.564330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.564330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.564330 (E_RNA)
where:
Base-Base interactions energy: -27.629
where: short stacking energy: -27.594
Base-Backbone interact. energy: -0.303
local terms energy: -60.631896
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -298.360645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.360645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.360645 (E_RNA)
where:
Base-Base interactions energy: -205.482
where: short stacking energy: -76.428
Base-Backbone interact. energy: 0.450
local terms energy: -93.328874
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -16.382
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: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -288.181796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.181796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.181796 (E_RNA)
where:
Base-Base interactions energy: -198.705
where: short stacking energy: -80.753
Base-Backbone interact. energy: -0.090
local terms energy: -89.386801
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -273.253096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.253096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.253096 (E_RNA)
where:
Base-Base interactions energy: -181.073
where: short stacking energy: -81.663
Base-Backbone interact. energy: -0.796
local terms energy: -91.383200
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -15.414
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: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -269.837341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.837341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.837341 (E_RNA)
where:
Base-Base interactions energy: -176.604
where: short stacking energy: -80.979
Base-Backbone interact. energy: -0.116
local terms energy: -93.117908
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -26.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -251.141423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.141423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.141423 (E_RNA)
where:
Base-Base interactions energy: -158.883
where: short stacking energy: -69.282
Base-Backbone interact. energy: -0.045
local terms energy: -92.213594
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -16.685
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: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -238.527146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.527146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.527146 (E_RNA)
where:
Base-Base interactions energy: -166.313
where: short stacking energy: -74.907
Base-Backbone interact. energy: -0.034
local terms energy: -72.179589
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -19.242
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: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -231.340657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.340657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.340657 (E_RNA)
where:
Base-Base interactions energy: -154.818
where: short stacking energy: -66.508
Base-Backbone interact. energy: -1.982
local terms energy: -74.540912
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -224.179246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.179246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.179246 (E_RNA)
where:
Base-Base interactions energy: -142.025
where: short stacking energy: -59.264
Base-Backbone interact. energy: -0.154
local terms energy: -82.000756
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -95.487837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.487837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.487837 (E_RNA)
where:
Base-Base interactions energy: -32.212
where: short stacking energy: -32.060
Base-Backbone interact. energy: -0.231
local terms energy: -63.045129
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -96.240317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.240317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.240317 (E_RNA)
where:
Base-Base interactions energy: -41.327
where: short stacking energy: -35.247
Base-Backbone interact. energy: -0.163
local terms energy: -54.750296
where:
bonds (distance) C4'-P energy: -7.505
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -292.269177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.269177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.269177 (E_RNA)
where:
Base-Base interactions energy: -212.310
where: short stacking energy: -79.255
Base-Backbone interact. energy: -0.287
local terms energy: -79.671878
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -278.817729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.817729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.817729 (E_RNA)
where:
Base-Base interactions energy: -186.499
where: short stacking energy: -86.126
Base-Backbone interact. energy: 0.269
local terms energy: -92.587662
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -25.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -289.368373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.368373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.368373 (E_RNA)
where:
Base-Base interactions energy: -200.650
where: short stacking energy: -76.037
Base-Backbone interact. energy: -0.239
local terms energy: -88.480188
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -23.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -274.927404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.927404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.927404 (E_RNA)
where:
Base-Base interactions energy: -193.264
where: short stacking energy: -78.782
Base-Backbone interact. energy: -0.082
local terms energy: -81.581373
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -261.617820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.617820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.617820 (E_RNA)
where:
Base-Base interactions energy: -178.821
where: short stacking energy: -78.738
Base-Backbone interact. energy: -0.085
local terms energy: -82.711408
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -232.937914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.937914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.937914 (E_RNA)
where:
Base-Base interactions energy: -157.488
where: short stacking energy: -64.806
Base-Backbone interact. energy: 2.686
local terms energy: -78.135556
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -226.371146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.371146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.371146 (E_RNA)
where:
Base-Base interactions energy: -151.574
where: short stacking energy: -66.393
Base-Backbone interact. energy: -0.114
local terms energy: -74.682954
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -231.073035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.073035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.073035 (E_RNA)
where:
Base-Base interactions energy: -155.177
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.186
local terms energy: -75.710408
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -19.413
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: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -95.209876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.209876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.209876 (E_RNA)
where:
Base-Base interactions energy: -39.159
where: short stacking energy: -37.600
Base-Backbone interact. energy: -0.222
local terms energy: -55.829321
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -4.622
flat angles P-C4'-P energy: -12.933
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: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -90.539121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.539121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.539121 (E_RNA)
where:
Base-Base interactions energy: -49.460
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.141
local terms energy: -40.938244
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -8.290
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: 0.317
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: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -289.651167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.651167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.651167 (E_RNA)
where:
Base-Base interactions energy: -192.314
where: short stacking energy: -86.636
Base-Backbone interact. energy: -0.186
local terms energy: -97.150679
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -283.494621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.494621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.494621 (E_RNA)
where:
Base-Base interactions energy: -197.159
where: short stacking energy: -74.588
Base-Backbone interact. energy: 0.576
local terms energy: -86.911682
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -9.745
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: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -282.769898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.769898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.769898 (E_RNA)
where:
Base-Base interactions energy: -193.174
where: short stacking energy: -88.115
Base-Backbone interact. energy: -0.003
local terms energy: -89.592821
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -260.221463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.221463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.221463 (E_RNA)
where:
Base-Base interactions energy: -165.896
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.698
local terms energy: -93.627376
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -275.708571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.708571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.708571 (E_RNA)
where:
Base-Base interactions energy: -187.960
where: short stacking energy: -82.074
Base-Backbone interact. energy: -0.046
local terms energy: -87.702970
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -29.225
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -261.242446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.242446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.242446 (E_RNA)
where:
Base-Base interactions energy: -174.251
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.083
local terms energy: -86.908022
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -17.156
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: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -232.268667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.268667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.268667 (E_RNA)
where:
Base-Base interactions energy: -153.216
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.522
local terms energy: -78.530254
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -20.571
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: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -226.129669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.129669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.129669 (E_RNA)
where:
Base-Base interactions energy: -158.692
where: short stacking energy: -72.785
Base-Backbone interact. energy: -0.851
local terms energy: -66.586290
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -5.212
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -110.319944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.319944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.319944 (E_RNA)
where:
Base-Base interactions energy: -48.291
where: short stacking energy: -28.960
Base-Backbone interact. energy: -0.147
local terms energy: -61.880995
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -75.264478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.264478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.264478 (E_RNA)
where:
Base-Base interactions energy: -19.574
where: short stacking energy: -20.930
Base-Backbone interact. energy: -0.262
local terms energy: -55.428780
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: 1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -289.649958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.649958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.649958 (E_RNA)
where:
Base-Base interactions energy: -198.022
where: short stacking energy: -89.960
Base-Backbone interact. energy: -0.059
local terms energy: -91.568600
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -295.240958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.240958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.240958 (E_RNA)
where:
Base-Base interactions energy: -212.356
where: short stacking energy: -77.447
Base-Backbone interact. energy: 0.806
local terms energy: -83.690360
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -282.765098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.765098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.765098 (E_RNA)
where:
Base-Base interactions energy: -188.972
where: short stacking energy: -88.669
Base-Backbone interact. energy: -0.624
local terms energy: -93.168902
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -24.348
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: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -267.757929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.757929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.757929 (E_RNA)
where:
Base-Base interactions energy: -185.298
where: short stacking energy: -76.319
Base-Backbone interact. energy: -0.392
local terms energy: -82.067976
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -21.554
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: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -264.144597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.144597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.144597 (E_RNA)
where:
Base-Base interactions energy: -179.574
where: short stacking energy: -77.411
Base-Backbone interact. energy: -0.144
local terms energy: -84.426645
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -241.390311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.390311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.390311 (E_RNA)
where:
Base-Base interactions energy: -159.345
where: short stacking energy: -69.391
Base-Backbone interact. energy: -1.623
local terms energy: -80.421775
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -246.387363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.387363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.387363 (E_RNA)
where:
Base-Base interactions energy: -161.830
where: short stacking energy: -76.914
Base-Backbone interact. energy: -0.058
local terms energy: -84.498528
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -17.018
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: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -222.598516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.598516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.598516 (E_RNA)
where:
Base-Base interactions energy: -152.515
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.508
local terms energy: -69.575815
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -15.616
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: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -100.547195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.547195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.547195 (E_RNA)
where:
Base-Base interactions energy: -49.815
where: short stacking energy: -30.876
Base-Backbone interact. energy: 2.878
local terms energy: -53.610491
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -91.817711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.817711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.817711 (E_RNA)
where:
Base-Base interactions energy: -38.363
where: short stacking energy: -17.066
Base-Backbone interact. energy: 0.310
local terms energy: -53.765262
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -9.811
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: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -304.346920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.346920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.346920 (E_RNA)
where:
Base-Base interactions energy: -217.119
where: short stacking energy: -80.165
Base-Backbone interact. energy: 0.445
local terms energy: -87.672247
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -14.590
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: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -273.022654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.022654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.022654 (E_RNA)
where:
Base-Base interactions energy: -177.516
where: short stacking energy: -76.749
Base-Backbone interact. energy: -0.101
local terms energy: -95.405471
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -22.308
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: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -276.934545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.934545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.934545 (E_RNA)
where:
Base-Base interactions energy: -183.462
where: short stacking energy: -68.675
Base-Backbone interact. energy: -0.497
local terms energy: -92.976066
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -279.102191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.102191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.102191 (E_RNA)
where:
Base-Base interactions energy: -191.911
where: short stacking energy: -78.917
Base-Backbone interact. energy: -0.151
local terms energy: -87.039797
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -254.420575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.420575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.420575 (E_RNA)
where:
Base-Base interactions energy: -167.422
where: short stacking energy: -72.628
Base-Backbone interact. energy: -0.605
local terms energy: -86.393647
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -229.130738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.130738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.130738 (E_RNA)
where:
Base-Base interactions energy: -154.431
where: short stacking energy: -62.976
Base-Backbone interact. energy: -0.751
local terms energy: -73.948917
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -250.394567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.394567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.394567 (E_RNA)
where:
Base-Base interactions energy: -173.884
where: short stacking energy: -72.205
Base-Backbone interact. energy: -0.951
local terms energy: -75.560249
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -240.132664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.132664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.132664 (E_RNA)
where:
Base-Base interactions energy: -167.689
where: short stacking energy: -78.499
Base-Backbone interact. energy: 1.160
local terms energy: -73.604487
where:
bonds (distance) C4'-P energy: -7.667
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -20.349
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: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -101.100680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.100680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.100680 (E_RNA)
where:
Base-Base interactions energy: -39.299
where: short stacking energy: -39.299
Base-Backbone interact. energy: -0.111
local terms energy: -61.690611
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -108.423538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.423538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.423538 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -32.850
Base-Backbone interact. energy: -0.159
local terms energy: -66.029755
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -6.032
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: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -295.051785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.051785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.051785 (E_RNA)
where:
Base-Base interactions energy: -208.803
where: short stacking energy: -79.389
Base-Backbone interact. energy: -1.479
local terms energy: -84.769402
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -279.413881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.413881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.413881 (E_RNA)
where:
Base-Base interactions energy: -189.054
where: short stacking energy: -85.306
Base-Backbone interact. energy: -0.064
local terms energy: -90.296236
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -24.630
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: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -268.376185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.376185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.376185 (E_RNA)
where:
Base-Base interactions energy: -180.830
where: short stacking energy: -77.914
Base-Backbone interact. energy: -0.461
local terms energy: -87.084434
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -285.573395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.573395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.573395 (E_RNA)
where:
Base-Base interactions energy: -192.632
where: short stacking energy: -90.788
Base-Backbone interact. energy: -0.070
local terms energy: -92.870560
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -24.672
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: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -271.509605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.509605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.509605 (E_RNA)
where:
Base-Base interactions energy: -176.846
where: short stacking energy: -79.130
Base-Backbone interact. energy: -0.450
local terms energy: -94.213391
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -28.420
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: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -267.097295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.097295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.097295 (E_RNA)
where:
Base-Base interactions energy: -180.002
where: short stacking energy: -90.234
Base-Backbone interact. energy: -0.004
local terms energy: -87.090930
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -235.884017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.884017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.884017 (E_RNA)
where:
Base-Base interactions energy: -161.688
where: short stacking energy: -68.580
Base-Backbone interact. energy: -0.104
local terms energy: -74.091311
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -224.371421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.371421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.371421 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.074
local terms energy: -72.799741
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -97.965836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.965836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.965836 (E_RNA)
where:
Base-Base interactions energy: -26.567
where: short stacking energy: -23.216
Base-Backbone interact. energy: -0.631
local terms energy: -70.768046
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -87.909900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.909900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.909900 (E_RNA)
where:
Base-Base interactions energy: -24.339
where: short stacking energy: -23.775
Base-Backbone interact. energy: -0.176
local terms energy: -63.394925
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -5.888
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: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -297.239750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.239750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.239750 (E_RNA)
where:
Base-Base interactions energy: -207.638
where: short stacking energy: -78.732
Base-Backbone interact. energy: 0.672
local terms energy: -90.273275
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -279.846162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.846162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.846162 (E_RNA)
where:
Base-Base interactions energy: -184.673
where: short stacking energy: -82.794
Base-Backbone interact. energy: -0.030
local terms energy: -95.143095
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -277.724643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.724643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.724643 (E_RNA)
where:
Base-Base interactions energy: -186.091
where: short stacking energy: -76.135
Base-Backbone interact. energy: -0.072
local terms energy: -91.562232
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -22.948
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: 404
Temperature: 1.050000
Total energy: -259.829306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.829306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.829306 (E_RNA)
where:
Base-Base interactions energy: -171.222
where: short stacking energy: -69.071
Base-Backbone interact. energy: -0.286
local terms energy: -88.320946
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -274.702502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.702502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.702502 (E_RNA)
where:
Base-Base interactions energy: -182.676
where: short stacking energy: -82.377
Base-Backbone interact. energy: -0.565
local terms energy: -91.461016
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -25.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -259.010994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.010994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.010994 (E_RNA)
where:
Base-Base interactions energy: -167.461
where: short stacking energy: -79.125
Base-Backbone interact. energy: -0.028
local terms energy: -91.521819
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -22.994
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: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -229.482672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.482672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.482672 (E_RNA)
where:
Base-Base interactions energy: -150.704
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.395
local terms energy: -78.384083
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -224.774583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.774583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.774583 (E_RNA)
where:
Base-Base interactions energy: -149.425
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.248
local terms energy: -75.102561
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -113.514526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.514526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.514526 (E_RNA)
where:
Base-Base interactions energy: -47.281
where: short stacking energy: -39.438
Base-Backbone interact. energy: -0.735
local terms energy: -65.498375
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -11.115
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: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -93.179604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.179604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.179604 (E_RNA)
where:
Base-Base interactions energy: -34.487
where: short stacking energy: -26.926
Base-Backbone interact. energy: -0.562
local terms energy: -58.129986
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -302.288301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.288301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.288301 (E_RNA)
where:
Base-Base interactions energy: -212.354
where: short stacking energy: -87.275
Base-Backbone interact. energy: 0.578
local terms energy: -90.512210
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -283.284656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.284656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.284656 (E_RNA)
where:
Base-Base interactions energy: -189.234
where: short stacking energy: -85.948
Base-Backbone interact. energy: 0.904
local terms energy: -94.953965
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -27.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -287.984521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.984521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.984521 (E_RNA)
where:
Base-Base interactions energy: -191.511
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.078
local terms energy: -96.396254
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -21.503
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: 4, replica: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -275.631439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.631439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.631439 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.080
local terms energy: -79.639155
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -242.703137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.703137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.703137 (E_RNA)
where:
Base-Base interactions energy: -160.145
where: short stacking energy: -77.816
Base-Backbone interact. energy: -0.051
local terms energy: -82.506618
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -271.618896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.618896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.618896 (E_RNA)
where:
Base-Base interactions energy: -194.912
where: short stacking energy: -73.846
Base-Backbone interact. energy: -0.212
local terms energy: -76.495526
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -21.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -234.134664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.134664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.134664 (E_RNA)
where:
Base-Base interactions energy: -140.527
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.025
local terms energy: -93.582709
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -23.974
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: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -238.969237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.969237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.969237 (E_RNA)
where:
Base-Base interactions energy: -168.231
where: short stacking energy: -71.181
Base-Backbone interact. energy: -0.124
local terms energy: -70.614540
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -18.351
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: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -86.687208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.687208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.687208 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -29.570
Base-Backbone interact. energy: -0.148
local terms energy: -54.922590
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -9.542
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: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -92.890084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.890084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.890084 (E_RNA)
where:
Base-Base interactions energy: -40.965
where: short stacking energy: -25.718
Base-Backbone interact. energy: -0.178
local terms energy: -51.747613
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -304.283249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.283249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.283249 (E_RNA)
where:
Base-Base interactions energy: -211.859
where: short stacking energy: -80.243
Base-Backbone interact. energy: 1.598
local terms energy: -94.022897
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -14.100
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: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -292.647041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.647041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.647041 (E_RNA)
where:
Base-Base interactions energy: -192.204
where: short stacking energy: -84.423
Base-Backbone interact. energy: -0.162
local terms energy: -100.280363
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -24.233
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: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -253.779944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.779944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.779944 (E_RNA)
where:
Base-Base interactions energy: -165.634
where: short stacking energy: -80.595
Base-Backbone interact. energy: -0.136
local terms energy: -88.009577
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -22.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -280.207824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.207824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.207824 (E_RNA)
where:
Base-Base interactions energy: -186.979
where: short stacking energy: -78.717
Base-Backbone interact. energy: -0.033
local terms energy: -93.195561
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -27.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -250.333310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.333310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.333310 (E_RNA)
where:
Base-Base interactions energy: -167.099
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.143
local terms energy: -83.090940
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -19.662
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: 2
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -247.268513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.268513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.268513 (E_RNA)
where:
Base-Base interactions energy: -165.388
where: short stacking energy: -65.074
Base-Backbone interact. energy: -0.304
local terms energy: -81.576590
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -236.468035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.468035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.468035 (E_RNA)
where:
Base-Base interactions energy: -147.224
where: short stacking energy: -70.156
Base-Backbone interact. energy: -0.110
local terms energy: -89.134015
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -225.579538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.579538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.579538 (E_RNA)
where:
Base-Base interactions energy: -148.874
where: short stacking energy: -64.609
Base-Backbone interact. energy: 0.498
local terms energy: -77.202943
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -98.249882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.249882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.249882 (E_RNA)
where:
Base-Base interactions energy: -39.450
where: short stacking energy: -37.904
Base-Backbone interact. energy: 0.538
local terms energy: -59.338649
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -5.112
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: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -102.149503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.149503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.149503 (E_RNA)
where:
Base-Base interactions energy: -37.034
where: short stacking energy: -36.646
Base-Backbone interact. energy: -0.069
local terms energy: -65.047061
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -9.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -301.110431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.110431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.110431 (E_RNA)
where:
Base-Base interactions energy: -217.122
where: short stacking energy: -83.797
Base-Backbone interact. energy: 0.344
local terms energy: -84.332101
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -13.870
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: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -292.757251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.757251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.757251 (E_RNA)
where:
Base-Base interactions energy: -199.351
where: short stacking energy: -86.992
Base-Backbone interact. energy: -0.042
local terms energy: -93.364393
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -26.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -272.457509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.457509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.457509 (E_RNA)
where:
Base-Base interactions energy: -176.970
where: short stacking energy: -86.418
Base-Backbone interact. energy: -0.053
local terms energy: -95.434990
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -284.353981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.353981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.353981 (E_RNA)
where:
Base-Base interactions energy: -192.107
where: short stacking energy: -79.150
Base-Backbone interact. energy: -0.100
local terms energy: -92.147572
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -13.056
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: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -271.014180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.014180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.014180 (E_RNA)
where:
Base-Base interactions energy: -188.105
where: short stacking energy: -76.631
Base-Backbone interact. energy: -0.203
local terms energy: -82.706314
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -256.613686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.613686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.613686 (E_RNA)
where:
Base-Base interactions energy: -174.442
where: short stacking energy: -70.054
Base-Backbone interact. energy: -0.013
local terms energy: -82.158112
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -255.746488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.746488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.746488 (E_RNA)
where:
Base-Base interactions energy: -166.853
where: short stacking energy: -77.591
Base-Backbone interact. energy: -0.106
local terms energy: -88.787793
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -22.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -206.038053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.038053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.038053 (E_RNA)
where:
Base-Base interactions energy: -134.335
where: short stacking energy: -57.664
Base-Backbone interact. energy: -0.421
local terms energy: -71.282471
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -95.080991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.080991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.080991 (E_RNA)
where:
Base-Base interactions energy: -36.170
where: short stacking energy: -36.170
Base-Backbone interact. energy: -0.212
local terms energy: -58.699604
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -91.337307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.337307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.337307 (E_RNA)
where:
Base-Base interactions energy: -28.239
where: short stacking energy: -18.457
Base-Backbone interact. energy: -0.032
local terms energy: -63.066451
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -10.538
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: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -309.419402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.419402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.419402 (E_RNA)
where:
Base-Base interactions energy: -211.159
where: short stacking energy: -87.839
Base-Backbone interact. energy: -0.092
local terms energy: -98.168770
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -28.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -304.478091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.478091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.478091 (E_RNA)
where:
Base-Base interactions energy: -211.081
where: short stacking energy: -81.109
Base-Backbone interact. energy: 1.042
local terms energy: -94.439693
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -13.212
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: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -285.926293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.926293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.926293 (E_RNA)
where:
Base-Base interactions energy: -196.162
where: short stacking energy: -76.850
Base-Backbone interact. energy: -0.033
local terms energy: -89.730396
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -273.012510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.012510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.012510 (E_RNA)
where:
Base-Base interactions energy: -179.170
where: short stacking energy: -78.857
Base-Backbone interact. energy: -0.070
local terms energy: -93.772593
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -11.514
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: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -268.250855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.250855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.250855 (E_RNA)
where:
Base-Base interactions energy: -181.454
where: short stacking energy: -81.096
Base-Backbone interact. energy: -0.021
local terms energy: -86.775101
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -233.772376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.772376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.772376 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -67.553
Base-Backbone interact. energy: -0.053
local terms energy: -80.362518
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -12.664
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: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -217.697401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.697401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.697401 (E_RNA)
where:
Base-Base interactions energy: -143.825
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.159
local terms energy: -73.713235
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -16.222
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: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -247.860894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.860894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.860894 (E_RNA)
where:
Base-Base interactions energy: -168.952
where: short stacking energy: -67.606
Base-Backbone interact. energy: -0.043
local terms energy: -78.865795
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -22.434
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: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -96.856627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.856627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.856627 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -30.793
Base-Backbone interact. energy: -0.124
local terms energy: -64.852050
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -89.606590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.606590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.606590 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -19.561
Base-Backbone interact. energy: -0.177
local terms energy: -50.819907
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: 4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -298.642859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.642859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.642859 (E_RNA)
where:
Base-Base interactions energy: -199.802
where: short stacking energy: -86.925
Base-Backbone interact. energy: -0.657
local terms energy: -98.184082
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -24.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -294.407119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.407119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.407119 (E_RNA)
where:
Base-Base interactions energy: -211.187
where: short stacking energy: -79.726
Base-Backbone interact. energy: 0.522
local terms energy: -83.742201
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -281.867909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.867909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.867909 (E_RNA)
where:
Base-Base interactions energy: -189.901
where: short stacking energy: -80.630
Base-Backbone interact. energy: -0.022
local terms energy: -91.944260
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -28.241
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: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -254.955504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.955504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.955504 (E_RNA)
where:
Base-Base interactions energy: -168.390
where: short stacking energy: -74.669
Base-Backbone interact. energy: -0.004
local terms energy: -86.561523
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -263.774789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.774789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.774789 (E_RNA)
where:
Base-Base interactions energy: -180.143
where: short stacking energy: -76.323
Base-Backbone interact. energy: -0.013
local terms energy: -83.618692
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -20.755
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: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -230.371324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.371324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.371324 (E_RNA)
where:
Base-Base interactions energy: -158.772
where: short stacking energy: -62.581
Base-Backbone interact. energy: -0.195
local terms energy: -71.403728
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -240.923810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.923810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.923810 (E_RNA)
where:
Base-Base interactions energy: -167.839
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.760
local terms energy: -72.325034
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -19.326
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: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -240.226558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.226558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.226558 (E_RNA)
where:
Base-Base interactions energy: -159.037
where: short stacking energy: -65.830
Base-Backbone interact. energy: -0.099
local terms energy: -81.090697
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -15.896
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: 409
Temperature: 1.300000
Total energy: -95.686403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.686403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.686403 (E_RNA)
where:
Base-Base interactions energy: -47.239
where: short stacking energy: -35.291
Base-Backbone interact. energy: -0.207
local terms energy: -48.239442
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -1.500
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -90.960600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.960600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.960600 (E_RNA)
where:
Base-Base interactions energy: -38.321
where: short stacking energy: -38.321
Base-Backbone interact. energy: -0.269
local terms energy: -52.370527
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -7.429
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -298.039239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.039239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.039239 (E_RNA)
where:
Base-Base interactions energy: -210.117
where: short stacking energy: -79.066
Base-Backbone interact. energy: 0.545
local terms energy: -88.467379
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -12.733
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: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -274.281359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.281359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.281359 (E_RNA)
where:
Base-Base interactions energy: -181.942
where: short stacking energy: -77.721
Base-Backbone interact. energy: 1.214
local terms energy: -93.553124
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -263.818771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.818771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.818771 (E_RNA)
where:
Base-Base interactions energy: -178.018
where: short stacking energy: -76.724
Base-Backbone interact. energy: -0.044
local terms energy: -85.756577
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -254.629820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.629820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.629820 (E_RNA)
where:
Base-Base interactions energy: -163.225
where: short stacking energy: -79.752
Base-Backbone interact. energy: -0.036
local terms energy: -91.368829
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -14.202
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: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -279.579638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.579638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.579638 (E_RNA)
where:
Base-Base interactions energy: -189.194
where: short stacking energy: -83.984
Base-Backbone interact. energy: -0.121
local terms energy: -90.264839
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -14.008
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: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -249.140177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.140177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.140177 (E_RNA)
where:
Base-Base interactions energy: -169.740
where: short stacking energy: -66.948
Base-Backbone interact. energy: 0.092
local terms energy: -79.492233
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -15.817
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: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -238.440115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.440115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.440115 (E_RNA)
where:
Base-Base interactions energy: -148.019
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.078
local terms energy: -90.343649
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -10.490
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: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -236.588830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.588830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.588830 (E_RNA)
where:
Base-Base interactions energy: -155.105
where: short stacking energy: -66.666
Base-Backbone interact. energy: -0.086
local terms energy: -81.398582
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -11.702
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: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -96.280077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.280077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.280077 (E_RNA)
where:
Base-Base interactions energy: -43.326
where: short stacking energy: -22.780
Base-Backbone interact. energy: 1.668
local terms energy: -54.622553
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -3.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -83.105711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.105711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.105711 (E_RNA)
where:
Base-Base interactions energy: -24.579
where: short stacking energy: -23.486
Base-Backbone interact. energy: -0.034
local terms energy: -58.492528
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -298.920936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.920936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.920936 (E_RNA)
where:
Base-Base interactions energy: -213.077
where: short stacking energy: -78.229
Base-Backbone interact. energy: 3.558
local terms energy: -89.401822
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -284.242177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.242177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.242177 (E_RNA)
where:
Base-Base interactions energy: -182.228
where: short stacking energy: -87.104
Base-Backbone interact. energy: -0.049
local terms energy: -101.965558
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -26.194
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -273.514650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.514650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.514650 (E_RNA)
where:
Base-Base interactions energy: -181.321
where: short stacking energy: -82.875
Base-Backbone interact. energy: -0.161
local terms energy: -92.032716
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -22.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -279.451013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.451013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.451013 (E_RNA)
where:
Base-Base interactions energy: -187.914
where: short stacking energy: -77.585
Base-Backbone interact. energy: -0.165
local terms energy: -91.372478
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -14.334
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: 411
Temperature: 1.100000
Total energy: -274.545128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.545128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.545128 (E_RNA)
where:
Base-Base interactions energy: -180.616
where: short stacking energy: -84.312
Base-Backbone interact. energy: -0.009
local terms energy: -93.919638
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -27.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -241.092911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.092911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.092911 (E_RNA)
where:
Base-Base interactions energy: -153.542
where: short stacking energy: -67.030
Base-Backbone interact. energy: -0.002
local terms energy: -87.548516
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -226.423844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.423844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.423844 (E_RNA)
where:
Base-Base interactions energy: -140.820
where: short stacking energy: -62.956
Base-Backbone interact. energy: -0.883
local terms energy: -84.721071
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -223.721051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.721051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.721051 (E_RNA)
where:
Base-Base interactions energy: -141.061
where: short stacking energy: -69.304
Base-Backbone interact. energy: 0.176
local terms energy: -82.836070
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -87.528852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528852 (E_RNA)
where:
Base-Base interactions energy: -28.515
where: short stacking energy: -18.223
Base-Backbone interact. energy: -0.222
local terms energy: -58.792184
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -13.865
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: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -92.168135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.168135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.168135 (E_RNA)
where:
Base-Base interactions energy: -34.627
where: short stacking energy: -18.220
Base-Backbone interact. energy: -2.560
local terms energy: -54.980693
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -305.345532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.345532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.345532 (E_RNA)
where:
Base-Base interactions energy: -211.209
where: short stacking energy: -80.538
Base-Backbone interact. energy: 0.320
local terms energy: -94.457476
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -280.094195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.094195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.094195 (E_RNA)
where:
Base-Base interactions energy: -195.725
where: short stacking energy: -79.117
Base-Backbone interact. energy: 1.129
local terms energy: -85.498742
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -281.430349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.430349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.430349 (E_RNA)
where:
Base-Base interactions energy: -178.050
where: short stacking energy: -78.162
Base-Backbone interact. energy: -0.389
local terms energy: -102.991757
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -26.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -256.315263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.315263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.315263 (E_RNA)
where:
Base-Base interactions energy: -175.108
where: short stacking energy: -75.766
Base-Backbone interact. energy: -0.007
local terms energy: -81.200441
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -12.397
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: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -265.201850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.201850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.201850 (E_RNA)
where:
Base-Base interactions energy: -172.515
where: short stacking energy: -75.966
Base-Backbone interact. energy: -0.152
local terms energy: -92.535620
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -14.834
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: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -234.451403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.451403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.451403 (E_RNA)
where:
Base-Base interactions energy: -148.414
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.857
local terms energy: -85.180669
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -242.687148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.687148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.687148 (E_RNA)
where:
Base-Base interactions energy: -166.736
where: short stacking energy: -69.443
Base-Backbone interact. energy: 0.627
local terms energy: -76.577528
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -202.704703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.704703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.704703 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.541
local terms energy: -63.576556
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -94.297360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.297360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.297360 (E_RNA)
where:
Base-Base interactions energy: -31.876
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.440
local terms energy: -61.981437
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -8.498
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: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -84.298032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.298032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.298032 (E_RNA)
where:
Base-Base interactions energy: -28.704
where: short stacking energy: -24.543
Base-Backbone interact. energy: 1.731
local terms energy: -57.325217
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -300.043266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.043266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.043266 (E_RNA)
where:
Base-Base interactions energy: -204.669
where: short stacking energy: -75.291
Base-Backbone interact. energy: -0.017
local terms energy: -95.357283
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -24.715
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: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -284.424282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.424282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.424282 (E_RNA)
where:
Base-Base interactions energy: -178.618
where: short stacking energy: -87.154
Base-Backbone interact. energy: -2.664
local terms energy: -103.141733
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -29.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -282.461194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.461194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.461194 (E_RNA)
where:
Base-Base interactions energy: -189.159
where: short stacking energy: -87.989
Base-Backbone interact. energy: -0.095
local terms energy: -93.206982
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -262.017452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.017452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.017452 (E_RNA)
where:
Base-Base interactions energy: -177.565
where: short stacking energy: -79.729
Base-Backbone interact. energy: -0.069
local terms energy: -84.383402
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -10.268
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: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -260.776667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.776667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.776667 (E_RNA)
where:
Base-Base interactions energy: -173.100
where: short stacking energy: -71.656
Base-Backbone interact. energy: -0.127
local terms energy: -87.549497
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -13.081
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: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -238.558079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.558079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.558079 (E_RNA)
where:
Base-Base interactions energy: -157.101
where: short stacking energy: -62.933
Base-Backbone interact. energy: -0.526
local terms energy: -80.930614
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -241.903922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.903922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.903922 (E_RNA)
where:
Base-Base interactions energy: -164.786
where: short stacking energy: -73.551
Base-Backbone interact. energy: 0.888
local terms energy: -78.006353
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -19.625
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: 413
Temperature: 1.250000
Total energy: -216.998006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.998006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.998006 (E_RNA)
where:
Base-Base interactions energy: -146.957
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.931
local terms energy: -69.109908
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -19.968
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: 413
Temperature: 1.300000
Total energy: -91.485622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.485622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.485622 (E_RNA)
where:
Base-Base interactions energy: -36.669
where: short stacking energy: -26.259
Base-Backbone interact. energy: -0.241
local terms energy: -54.575651
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -0.693
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: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -99.732489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.732489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.732489 (E_RNA)
where:
Base-Base interactions energy: -47.904
where: short stacking energy: -28.342
Base-Backbone interact. energy: -0.672
local terms energy: -51.156079
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -4.725
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -8.254
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: 414
Temperature: 0.900000
Total energy: -299.082882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.082882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.082882 (E_RNA)
where:
Base-Base interactions energy: -202.453
where: short stacking energy: -75.951
Base-Backbone interact. energy: -0.167
local terms energy: -96.462919
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -23.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -287.454825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.454825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.454825 (E_RNA)
where:
Base-Base interactions energy: -189.001
where: short stacking energy: -88.359
Base-Backbone interact. energy: -0.342
local terms energy: -98.111233
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -28.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -287.627412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.627412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.627412 (E_RNA)
where:
Base-Base interactions energy: -198.775
where: short stacking energy: -88.404
Base-Backbone interact. energy: -0.007
local terms energy: -88.845966
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -27.308
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -274.101052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.101052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.101052 (E_RNA)
where:
Base-Base interactions energy: -184.003
where: short stacking energy: -81.547
Base-Backbone interact. energy: 0.050
local terms energy: -90.147772
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -24.689
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -253.685492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.685492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.685492 (E_RNA)
where:
Base-Base interactions energy: -163.268
where: short stacking energy: -77.305
Base-Backbone interact. energy: -0.337
local terms energy: -90.080530
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -254.121872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.121872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.121872 (E_RNA)
where:
Base-Base interactions energy: -171.276
where: short stacking energy: -79.086
Base-Backbone interact. energy: -0.009
local terms energy: -82.837655
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -23.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -234.899033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.899033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.899033 (E_RNA)
where:
Base-Base interactions energy: -159.453
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.499
local terms energy: -74.946950
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -241.453104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.453104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.453104 (E_RNA)
where:
Base-Base interactions energy: -158.074
where: short stacking energy: -66.042
Base-Backbone interact. energy: 0.195
local terms energy: -83.574476
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -102.279242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.279242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.279242 (E_RNA)
where:
Base-Base interactions energy: -45.500
where: short stacking energy: -44.272
Base-Backbone interact. energy: 1.037
local terms energy: -57.815699
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -92.795367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.795367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.795367 (E_RNA)
where:
Base-Base interactions energy: -32.110
where: short stacking energy: -23.169
Base-Backbone interact. energy: -0.319
local terms energy: -60.365969
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -295.590436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.590436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.590436 (E_RNA)
where:
Base-Base interactions energy: -210.485
where: short stacking energy: -84.833
Base-Backbone interact. energy: 0.440
local terms energy: -85.545075
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -292.716438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.716438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.716438 (E_RNA)
where:
Base-Base interactions energy: -195.077
where: short stacking energy: -86.294
Base-Backbone interact. energy: -0.011
local terms energy: -97.628073
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: -26.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -280.040001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.040001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.040001 (E_RNA)
where:
Base-Base interactions energy: -187.746
where: short stacking energy: -80.890
Base-Backbone interact. energy: -0.059
local terms energy: -92.235845
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -30.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -271.713159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.713159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.713159 (E_RNA)
where:
Base-Base interactions energy: -184.787
where: short stacking energy: -73.373
Base-Backbone interact. energy: -0.175
local terms energy: -86.751124
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -241.005727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.005727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.005727 (E_RNA)
where:
Base-Base interactions energy: -162.444
where: short stacking energy: -67.370
Base-Backbone interact. energy: -0.347
local terms energy: -78.214053
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -265.122893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.122893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.122893 (E_RNA)
where:
Base-Base interactions energy: -179.841
where: short stacking energy: -76.411
Base-Backbone interact. energy: -0.014
local terms energy: -85.267767
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -251.177407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.177407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.177407 (E_RNA)
where:
Base-Base interactions energy: -163.817
where: short stacking energy: -74.529
Base-Backbone interact. energy: -0.082
local terms energy: -87.277823
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -13.888
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: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -241.618930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.618930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.618930 (E_RNA)
where:
Base-Base interactions energy: -160.068
where: short stacking energy: -73.885
Base-Backbone interact. energy: 1.106
local terms energy: -82.657123
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -92.217185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.217185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.217185 (E_RNA)
where:
Base-Base interactions energy: -39.911
where: short stacking energy: -25.860
Base-Backbone interact. energy: 0.913
local terms energy: -53.218732
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: 4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -91.143418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.143418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.143418 (E_RNA)
where:
Base-Base interactions energy: -46.196
where: short stacking energy: -22.510
Base-Backbone interact. energy: -0.435
local terms energy: -44.512182
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: 0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -302.309802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.309802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.309802 (E_RNA)
where:
Base-Base interactions energy: -218.307
where: short stacking energy: -83.934
Base-Backbone interact. energy: 0.133
local terms energy: -84.135306
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -280.349244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.349244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.349244 (E_RNA)
where:
Base-Base interactions energy: -189.975
where: short stacking energy: -83.322
Base-Backbone interact. energy: -0.018
local terms energy: -90.355816
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -285.962075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.962075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.962075 (E_RNA)
where:
Base-Base interactions energy: -186.697
where: short stacking energy: -82.367
Base-Backbone interact. energy: -0.004
local terms energy: -99.260793
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -27.925
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: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -267.340073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.340073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.340073 (E_RNA)
where:
Base-Base interactions energy: -176.292
where: short stacking energy: -81.994
Base-Backbone interact. energy: -0.040
local terms energy: -91.008087
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -273.559374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.559374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.559374 (E_RNA)
where:
Base-Base interactions energy: -179.297
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.022
local terms energy: -94.240551
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -21.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -232.298991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.298991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.298991 (E_RNA)
where:
Base-Base interactions energy: -153.452
where: short stacking energy: -69.204
Base-Backbone interact. energy: -0.115
local terms energy: -78.731550
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -241.263613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.263613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.263613 (E_RNA)
where:
Base-Base interactions energy: -148.711
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.614
local terms energy: -91.938397
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -17.538
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: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -238.041644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.041644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.041644 (E_RNA)
where:
Base-Base interactions energy: -163.705
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.059
local terms energy: -74.277941
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -12.322
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: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -93.797513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.797513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.797513 (E_RNA)
where:
Base-Base interactions energy: -37.532
where: short stacking energy: -27.354
Base-Backbone interact. energy: 0.659
local terms energy: -56.923781
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.270
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: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -103.850646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.850646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.850646 (E_RNA)
where:
Base-Base interactions energy: -36.549
where: short stacking energy: -29.219
Base-Backbone interact. energy: -0.115
local terms energy: -67.186620
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -7.096
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: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -301.734227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.734227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.734227 (E_RNA)
where:
Base-Base interactions energy: -208.481
where: short stacking energy: -81.776
Base-Backbone interact. energy: 0.282
local terms energy: -93.535102
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -22.140
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: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -289.858359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.858359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.858359 (E_RNA)
where:
Base-Base interactions energy: -191.890
where: short stacking energy: -90.097
Base-Backbone interact. energy: -0.187
local terms energy: -97.781581
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -29.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -286.636383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.636383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.636383 (E_RNA)
where:
Base-Base interactions energy: -199.213
where: short stacking energy: -84.841
Base-Backbone interact. energy: -0.088
local terms energy: -87.335520
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -277.894711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.894711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.894711 (E_RNA)
where:
Base-Base interactions energy: -189.184
where: short stacking energy: -81.908
Base-Backbone interact. energy: -0.318
local terms energy: -88.392739
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -271.541049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.541049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.541049 (E_RNA)
where:
Base-Base interactions energy: -171.011
where: short stacking energy: -76.639
Base-Backbone interact. energy: -0.051
local terms energy: -100.478661
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -27.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -259.151350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.151350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.151350 (E_RNA)
where:
Base-Base interactions energy: -172.205
where: short stacking energy: -70.142
Base-Backbone interact. energy: -0.295
local terms energy: -86.650839
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -231.998217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.998217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.998217 (E_RNA)
where:
Base-Base interactions energy: -150.835
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.552
local terms energy: -80.611162
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -10.327
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: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -234.630476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.630476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.630476 (E_RNA)
where:
Base-Base interactions energy: -156.486
where: short stacking energy: -67.894
Base-Backbone interact. energy: -0.330
local terms energy: -77.814376
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -101.180852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.180852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.180852 (E_RNA)
where:
Base-Base interactions energy: -36.649
where: short stacking energy: -29.291
Base-Backbone interact. energy: 0.001
local terms energy: -64.533464
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -84.499410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.499410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.499410 (E_RNA)
where:
Base-Base interactions energy: -21.561
where: short stacking energy: -20.099
Base-Backbone interact. energy: -0.272
local terms energy: -62.666643
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -315.707898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.707898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.707898 (E_RNA)
where:
Base-Base interactions energy: -220.743
where: short stacking energy: -81.737
Base-Backbone interact. energy: -0.779
local terms energy: -94.186355
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -22.875
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: 418
Temperature: 0.950000
Total energy: -290.281086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.281086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.281086 (E_RNA)
where:
Base-Base interactions energy: -190.535
where: short stacking energy: -83.292
Base-Backbone interact. energy: -0.002
local terms energy: -99.743902
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -14.279
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: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -286.292496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.292496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.292496 (E_RNA)
where:
Base-Base interactions energy: -202.324
where: short stacking energy: -83.067
Base-Backbone interact. energy: -0.520
local terms energy: -83.448103
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -20.940
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: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -278.956406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.956406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.956406 (E_RNA)
where:
Base-Base interactions energy: -193.426
where: short stacking energy: -84.586
Base-Backbone interact. energy: -0.154
local terms energy: -85.376365
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -272.168379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.168379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.168379 (E_RNA)
where:
Base-Base interactions energy: -196.712
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.839
local terms energy: -74.617396
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -5.222
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: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -265.258573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.258573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.258573 (E_RNA)
where:
Base-Base interactions energy: -177.300
where: short stacking energy: -90.132
Base-Backbone interact. energy: -0.250
local terms energy: -87.708939
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.428
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: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -199.445750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.445750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.445750 (E_RNA)
where:
Base-Base interactions energy: -131.417
where: short stacking energy: -54.416
Base-Backbone interact. energy: -1.969
local terms energy: -66.059685
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -9.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -199.613528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.613528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.613528 (E_RNA)
where:
Base-Base interactions energy: -138.682
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.058
local terms energy: -60.873091
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -10.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -97.382588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.382588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.382588 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -27.592
Base-Backbone interact. energy: -0.159
local terms energy: -63.323700
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -7.407
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: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -87.795182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.795182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.795182 (E_RNA)
where:
Base-Base interactions energy: -23.422
where: short stacking energy: -21.871
Base-Backbone interact. energy: -0.222
local terms energy: -64.151418
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -299.987489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.987489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.987489 (E_RNA)
where:
Base-Base interactions energy: -206.367
where: short stacking energy: -80.843
Base-Backbone interact. energy: -0.132
local terms energy: -93.488262
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -293.237496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.237496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.237496 (E_RNA)
where:
Base-Base interactions energy: -202.698
where: short stacking energy: -88.264
Base-Backbone interact. energy: -0.065
local terms energy: -90.474282
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -13.476
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: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -287.012536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.012536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.012536 (E_RNA)
where:
Base-Base interactions energy: -190.192
where: short stacking energy: -80.481
Base-Backbone interact. energy: -0.116
local terms energy: -96.705171
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -28.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -266.416387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.416387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.416387 (E_RNA)
where:
Base-Base interactions energy: -181.258
where: short stacking energy: -74.461
Base-Backbone interact. energy: -0.162
local terms energy: -84.996287
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -282.790847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.790847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.790847 (E_RNA)
where:
Base-Base interactions energy: -191.242
where: short stacking energy: -84.391
Base-Backbone interact. energy: -0.070
local terms energy: -91.479787
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -23.504
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: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -260.638209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.638209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.638209 (E_RNA)
where:
Base-Base interactions energy: -172.857
where: short stacking energy: -73.015
Base-Backbone interact. energy: -0.012
local terms energy: -87.769595
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -229.484979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.484979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.484979 (E_RNA)
where:
Base-Base interactions energy: -141.423
where: short stacking energy: -63.654
Base-Backbone interact. energy: -0.222
local terms energy: -87.839948
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -20.818
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: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -230.265132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.265132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.265132 (E_RNA)
where:
Base-Base interactions energy: -156.119
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.152
local terms energy: -73.994423
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -95.760786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.760786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.760786 (E_RNA)
where:
Base-Base interactions energy: -33.079
where: short stacking energy: -20.041
Base-Backbone interact. energy: -0.132
local terms energy: -62.549296
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: 0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -129.854787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.854787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.854787 (E_RNA)
where:
Base-Base interactions energy: -73.325
where: short stacking energy: -32.340
Base-Backbone interact. energy: -0.188
local terms energy: -56.342372
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -12.629
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: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -299.980102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.980102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.980102 (E_RNA)
where:
Base-Base interactions energy: -210.908
where: short stacking energy: -84.206
Base-Backbone interact. energy: -0.096
local terms energy: -88.976565
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -11.679
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: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -294.123572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.123572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.123572 (E_RNA)
where:
Base-Base interactions energy: -208.245
where: short stacking energy: -75.248
Base-Backbone interact. energy: 1.971
local terms energy: -87.849895
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -272.099499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.099499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.099499 (E_RNA)
where:
Base-Base interactions energy: -177.945
where: short stacking energy: -82.965
Base-Backbone interact. energy: -0.049
local terms energy: -94.105269
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -22.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -258.725547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.725547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.725547 (E_RNA)
where:
Base-Base interactions energy: -172.462
where: short stacking energy: -70.317
Base-Backbone interact. energy: -0.067
local terms energy: -86.196437
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -12.969
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: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -244.999694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.999694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.999694 (E_RNA)
where:
Base-Base interactions energy: -161.822
where: short stacking energy: -63.589
Base-Backbone interact. energy: 0.289
local terms energy: -83.467229
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -19.071
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: 2
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -278.010337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.010337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.010337 (E_RNA)
where:
Base-Base interactions energy: -185.732
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.075
local terms energy: -92.202648
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -235.482240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.482240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.482240 (E_RNA)
where:
Base-Base interactions energy: -163.312
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.520
local terms energy: -71.649867
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -220.315973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.315973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.315973 (E_RNA)
where:
Base-Base interactions energy: -144.688
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.144
local terms energy: -75.484749
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -14.356
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: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -185.290828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.290828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.290828 (E_RNA)
where:
Base-Base interactions energy: -114.870
where: short stacking energy: -47.381
Base-Backbone interact. energy: 0.328
local terms energy: -70.748850
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -93.838456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.838456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.838456 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -29.985
Base-Backbone interact. energy: -0.352
local terms energy: -56.503466
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -302.958020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.958020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.958020 (E_RNA)
where:
Base-Base interactions energy: -204.057
where: short stacking energy: -90.006
Base-Backbone interact. energy: -0.056
local terms energy: -98.844666
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -275.573393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.573393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.573393 (E_RNA)
where:
Base-Base interactions energy: -184.023
where: short stacking energy: -85.239
Base-Backbone interact. energy: -0.357
local terms energy: -91.193660
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -287.277727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.277727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.277727 (E_RNA)
where:
Base-Base interactions energy: -205.792
where: short stacking energy: -78.301
Base-Backbone interact. energy: 0.470
local terms energy: -81.955803
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -270.455271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.455271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.455271 (E_RNA)
where:
Base-Base interactions energy: -187.413
where: short stacking energy: -74.195
Base-Backbone interact. energy: -0.008
local terms energy: -83.034430
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -22.155
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: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -252.647864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.647864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.647864 (E_RNA)
where:
Base-Base interactions energy: -171.175
where: short stacking energy: -71.003
Base-Backbone interact. energy: -0.151
local terms energy: -81.321341
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -268.041417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.041417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.041417 (E_RNA)
where:
Base-Base interactions energy: -183.123
where: short stacking energy: -83.568
Base-Backbone interact. energy: -0.007
local terms energy: -84.911847
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -260.797539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.797539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.797539 (E_RNA)
where:
Base-Base interactions energy: -171.491
where: short stacking energy: -74.764
Base-Backbone interact. energy: -0.176
local terms energy: -89.130329
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -235.387943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.387943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.387943 (E_RNA)
where:
Base-Base interactions energy: -151.192
where: short stacking energy: -60.986
Base-Backbone interact. energy: 1.255
local terms energy: -85.450329
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -195.483778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.483778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.483778 (E_RNA)
where:
Base-Base interactions energy: -124.698
where: short stacking energy: -50.733
Base-Backbone interact. energy: -0.211
local terms energy: -70.575174
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -89.006752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.006752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.006752 (E_RNA)
where:
Base-Base interactions energy: -28.843
where: short stacking energy: -19.402
Base-Backbone interact. energy: 0.099
local terms energy: -60.263027
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -1.293
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: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -298.632359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.632359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.632359 (E_RNA)
where:
Base-Base interactions energy: -203.009
where: short stacking energy: -83.923
Base-Backbone interact. energy: -0.115
local terms energy: -95.508400
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -25.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -288.452922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.452922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.452922 (E_RNA)
where:
Base-Base interactions energy: -191.885
where: short stacking energy: -79.069
Base-Backbone interact. energy: -0.309
local terms energy: -96.259174
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -24.388
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: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -281.748695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.748695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.748695 (E_RNA)
where:
Base-Base interactions energy: -196.891
where: short stacking energy: -85.317
Base-Backbone interact. energy: -0.003
local terms energy: -84.854543
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -25.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -280.187952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.187952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.187952 (E_RNA)
where:
Base-Base interactions energy: -200.135
where: short stacking energy: -78.987
Base-Backbone interact. energy: 0.349
local terms energy: -80.402093
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -18.070
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: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -281.241537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.241537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.241537 (E_RNA)
where:
Base-Base interactions energy: -187.972
where: short stacking energy: -83.421
Base-Backbone interact. energy: -2.485
local terms energy: -90.785061
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -11.789
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: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -246.254236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.254236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.254236 (E_RNA)
where:
Base-Base interactions energy: -162.621
where: short stacking energy: -66.889
Base-Backbone interact. energy: -0.099
local terms energy: -83.534357
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -239.911472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.911472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.911472 (E_RNA)
where:
Base-Base interactions energy: -158.667
where: short stacking energy: -71.289
Base-Backbone interact. energy: -0.485
local terms energy: -80.759600
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -231.544191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.544191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.544191 (E_RNA)
where:
Base-Base interactions energy: -157.069
where: short stacking energy: -68.499
Base-Backbone interact. energy: -0.303
local terms energy: -74.172098
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -198.139673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.139673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.139673 (E_RNA)
where:
Base-Base interactions energy: -126.965
where: short stacking energy: -57.653
Base-Backbone interact. energy: -0.203
local terms energy: -70.971683
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -90.195661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.195661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.195661 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -29.546
Base-Backbone interact. energy: -1.390
local terms energy: -49.107432
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: 1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -306.799306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.799306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.799306 (E_RNA)
where:
Base-Base interactions energy: -203.271
where: short stacking energy: -92.507
Base-Backbone interact. energy: -0.069
local terms energy: -103.458934
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -14.953
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: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -302.287161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.287161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.287161 (E_RNA)
where:
Base-Base interactions energy: -204.729
where: short stacking energy: -86.582
Base-Backbone interact. energy: -0.003
local terms energy: -97.555150
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -26.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -282.972278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.972278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.972278 (E_RNA)
where:
Base-Base interactions energy: -188.632
where: short stacking energy: -77.755
Base-Backbone interact. energy: -0.022
local terms energy: -94.318658
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -14.922
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: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -274.326462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.326462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.326462 (E_RNA)
where:
Base-Base interactions energy: -185.534
where: short stacking energy: -78.040
Base-Backbone interact. energy: 0.007
local terms energy: -88.799471
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -265.369646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.369646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.369646 (E_RNA)
where:
Base-Base interactions energy: -197.757
where: short stacking energy: -75.403
Base-Backbone interact. energy: 3.217
local terms energy: -70.829104
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -21.012
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: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -243.269979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.269979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.269979 (E_RNA)
where:
Base-Base interactions energy: -167.317
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.568
local terms energy: -75.384854
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -248.626919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.626919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.626919 (E_RNA)
where:
Base-Base interactions energy: -174.317
where: short stacking energy: -67.657
Base-Backbone interact. energy: -0.085
local terms energy: -74.225344
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -203.995491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.995491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.995491 (E_RNA)
where:
Base-Base interactions energy: -134.529
where: short stacking energy: -55.661
Base-Backbone interact. energy: 0.247
local terms energy: -69.713263
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -220.504713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.504713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.504713 (E_RNA)
where:
Base-Base interactions energy: -143.787
where: short stacking energy: -64.005
Base-Backbone interact. energy: 0.064
local terms energy: -76.782040
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -89.144286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.144286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.144286 (E_RNA)
where:
Base-Base interactions energy: -41.529
where: short stacking energy: -24.635
Base-Backbone interact. energy: 0.065
local terms energy: -47.680455
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -0.248
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: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -303.835694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.835694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.835694 (E_RNA)
where:
Base-Base interactions energy: -204.981
where: short stacking energy: -90.786
Base-Backbone interact. energy: -0.027
local terms energy: -98.827026
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -25.329
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: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -290.553863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.553863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.553863 (E_RNA)
where:
Base-Base interactions energy: -195.788
where: short stacking energy: -85.262
Base-Backbone interact. energy: 1.174
local terms energy: -95.940419
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -22.293
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: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -278.785368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.785368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.785368 (E_RNA)
where:
Base-Base interactions energy: -182.480
where: short stacking energy: -78.708
Base-Backbone interact. energy: -0.533
local terms energy: -95.772566
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -271.982448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.982448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.982448 (E_RNA)
where:
Base-Base interactions energy: -173.180
where: short stacking energy: -85.885
Base-Backbone interact. energy: -0.008
local terms energy: -98.795017
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -27.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -268.630387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.630387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.630387 (E_RNA)
where:
Base-Base interactions energy: -180.880
where: short stacking energy: -82.426
Base-Backbone interact. energy: -0.271
local terms energy: -87.479482
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -27.341
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: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -228.459492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.459492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.459492 (E_RNA)
where:
Base-Base interactions energy: -149.299
where: short stacking energy: -63.860
Base-Backbone interact. energy: -0.388
local terms energy: -78.772486
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -239.420370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.420370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.420370 (E_RNA)
where:
Base-Base interactions energy: -153.673
where: short stacking energy: -72.067
Base-Backbone interact. energy: 2.103
local terms energy: -87.850393
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -24.350
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: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -213.388883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.388883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388883 (E_RNA)
where:
Base-Base interactions energy: -133.326
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.037
local terms energy: -80.026355
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -219.150277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.150277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.150277 (E_RNA)
where:
Base-Base interactions energy: -151.251
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.307
local terms energy: -67.592600
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -13.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -94.074797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.074797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.074797 (E_RNA)
where:
Base-Base interactions energy: -34.469
where: short stacking energy: -28.910
Base-Backbone interact. energy: -0.182
local terms energy: -59.423872
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.513
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: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -292.980699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.980699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.980699 (E_RNA)
where:
Base-Base interactions energy: -202.141
where: short stacking energy: -85.802
Base-Backbone interact. energy: -0.132
local terms energy: -90.706940
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -282.572445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.572445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.572445 (E_RNA)
where:
Base-Base interactions energy: -196.558
where: short stacking energy: -83.068
Base-Backbone interact. energy: 0.009
local terms energy: -86.023641
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -278.308648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.308648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.308648 (E_RNA)
where:
Base-Base interactions energy: -188.000
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.333
local terms energy: -89.975583
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -272.099847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.099847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.099847 (E_RNA)
where:
Base-Base interactions energy: -177.724
where: short stacking energy: -81.301
Base-Backbone interact. energy: -0.010
local terms energy: -94.366198
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -260.147999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.147999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.147999 (E_RNA)
where:
Base-Base interactions energy: -171.757
where: short stacking energy: -75.021
Base-Backbone interact. energy: -0.261
local terms energy: -88.129995
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -21.892
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: 425
Temperature: 1.150000
Total energy: -230.824925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.824925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.824925 (E_RNA)
where:
Base-Base interactions energy: -148.783
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.265
local terms energy: -81.777443
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -234.598683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.598683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.598683 (E_RNA)
where:
Base-Base interactions energy: -154.757
where: short stacking energy: -73.584
Base-Backbone interact. energy: -0.059
local terms energy: -79.782453
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -206.041596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.041596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.041596 (E_RNA)
where:
Base-Base interactions energy: -131.388
where: short stacking energy: -56.366
Base-Backbone interact. energy: -0.200
local terms energy: -74.453099
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -128.815324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.815324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.815324 (E_RNA)
where:
Base-Base interactions energy: -68.239
where: short stacking energy: -34.990
Base-Backbone interact. energy: -0.073
local terms energy: -60.503471
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -85.263909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.263909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.263909 (E_RNA)
where:
Base-Base interactions energy: -47.641
where: short stacking energy: -14.333
Base-Backbone interact. energy: 5.244
local terms energy: -42.867186
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -2.146
tors. eta vs tors. theta energy: 2.964
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: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -297.335313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.335313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.335313 (E_RNA)
where:
Base-Base interactions energy: -200.426
where: short stacking energy: -81.111
Base-Backbone interact. energy: -0.074
local terms energy: -96.835772
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -21.763
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: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -274.786029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.786029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.786029 (E_RNA)
where:
Base-Base interactions energy: -183.180
where: short stacking energy: -81.517
Base-Backbone interact. energy: -0.218
local terms energy: -91.387506
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -280.827189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.827189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.827189 (E_RNA)
where:
Base-Base interactions energy: -194.457
where: short stacking energy: -88.271
Base-Backbone interact. energy: -0.245
local terms energy: -86.124790
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -25.967
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: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -285.698030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.698030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.698030 (E_RNA)
where:
Base-Base interactions energy: -192.416
where: short stacking energy: -76.771
Base-Backbone interact. energy: -0.129
local terms energy: -93.153277
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -270.672350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.672350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.672350 (E_RNA)
where:
Base-Base interactions energy: -183.572
where: short stacking energy: -83.813
Base-Backbone interact. energy: -0.089
local terms energy: -87.011338
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -7.700
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: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -235.237724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.237724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.237724 (E_RNA)
where:
Base-Base interactions energy: -149.482
where: short stacking energy: -68.551
Base-Backbone interact. energy: -0.540
local terms energy: -85.215869
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -244.769692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.769692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.769692 (E_RNA)
where:
Base-Base interactions energy: -162.046
where: short stacking energy: -72.728
Base-Backbone interact. energy: -1.085
local terms energy: -81.638840
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -206.042751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.042751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.042751 (E_RNA)
where:
Base-Base interactions energy: -122.754
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.513
local terms energy: -82.775780
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -15.833
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: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -101.477761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.477761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.477761 (E_RNA)
where:
Base-Base interactions energy: -44.383
where: short stacking energy: -40.460
Base-Backbone interact. energy: -0.710
local terms energy: -56.385206
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -87.249570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.249570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.249570 (E_RNA)
where:
Base-Base interactions energy: -27.220
where: short stacking energy: -26.941
Base-Backbone interact. energy: -0.550
local terms energy: -59.480107
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: 0.801
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: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -295.130598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.130598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.130598 (E_RNA)
where:
Base-Base interactions energy: -200.572
where: short stacking energy: -76.928
Base-Backbone interact. energy: -0.081
local terms energy: -94.477392
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -23.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -285.183655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.183655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.183655 (E_RNA)
where:
Base-Base interactions energy: -193.952
where: short stacking energy: -80.558
Base-Backbone interact. energy: -0.010
local terms energy: -91.221747
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -12.718
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: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -274.772566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.772566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.772566 (E_RNA)
where:
Base-Base interactions energy: -188.565
where: short stacking energy: -81.657
Base-Backbone interact. energy: 0.580
local terms energy: -86.787445
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -21.228
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: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -270.138919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.138919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.138919 (E_RNA)
where:
Base-Base interactions energy: -197.694
where: short stacking energy: -77.322
Base-Backbone interact. energy: 0.845
local terms energy: -73.290265
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -261.046660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.046660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.046660 (E_RNA)
where:
Base-Base interactions energy: -174.460
where: short stacking energy: -82.543
Base-Backbone interact. energy: -0.011
local terms energy: -86.575435
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -26.445
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: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -244.029127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.029127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.029127 (E_RNA)
where:
Base-Base interactions energy: -165.145
where: short stacking energy: -66.351
Base-Backbone interact. energy: -0.107
local terms energy: -78.776640
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -233.261322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.261322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.261322 (E_RNA)
where:
Base-Base interactions energy: -157.439
where: short stacking energy: -68.503
Base-Backbone interact. energy: 1.440
local terms energy: -77.261660
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -11.955
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: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -152.435115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.435115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.435115 (E_RNA)
where:
Base-Base interactions energy: -86.833
where: short stacking energy: -43.541
Base-Backbone interact. energy: -1.283
local terms energy: -64.318765
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -5.670
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: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -92.833529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.833529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.833529 (E_RNA)
where:
Base-Base interactions energy: -30.872
where: short stacking energy: -30.872
Base-Backbone interact. energy: 0.142
local terms energy: -62.103195
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -88.955542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.955542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.955542 (E_RNA)
where:
Base-Base interactions energy: -35.455
where: short stacking energy: -35.455
Base-Backbone interact. energy: -0.125
local terms energy: -53.375810
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -289.848799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.848799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.848799 (E_RNA)
where:
Base-Base interactions energy: -203.308
where: short stacking energy: -91.894
Base-Backbone interact. energy: -0.099
local terms energy: -86.441837
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -283.570907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.570907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.570907 (E_RNA)
where:
Base-Base interactions energy: -188.958
where: short stacking energy: -77.516
Base-Backbone interact. energy: -0.939
local terms energy: -93.673677
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -14.886
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: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -278.929532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.929532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.929532 (E_RNA)
where:
Base-Base interactions energy: -181.664
where: short stacking energy: -89.040
Base-Backbone interact. energy: -0.029
local terms energy: -97.236701
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -285.728747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.728747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.728747 (E_RNA)
where:
Base-Base interactions energy: -197.711
where: short stacking energy: -87.619
Base-Backbone interact. energy: -0.062
local terms energy: -87.955578
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -11.630
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: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -241.112828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.112828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.112828 (E_RNA)
where:
Base-Base interactions energy: -155.574
where: short stacking energy: -69.458
Base-Backbone interact. energy: -0.297
local terms energy: -85.242263
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -263.860783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.860783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.860783 (E_RNA)
where:
Base-Base interactions energy: -180.458
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.184
local terms energy: -83.218549
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -18.999
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: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -231.756276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.756276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.756276 (E_RNA)
where:
Base-Base interactions energy: -153.856
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.152
local terms energy: -77.748305
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -88.972315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.972315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.972315 (E_RNA)
where:
Base-Base interactions energy: -35.026
where: short stacking energy: -28.753
Base-Backbone interact. energy: -1.315
local terms energy: -52.630974
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -6.399
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: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -98.796497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.796497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.796497 (E_RNA)
where:
Base-Base interactions energy: -33.173
where: short stacking energy: -33.173
Base-Backbone interact. energy: -0.074
local terms energy: -65.549274
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -98.945765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.945765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.945765 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.266
local terms energy: -59.425991
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -7.887
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: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -289.448219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.448219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.448219 (E_RNA)
where:
Base-Base interactions energy: -195.005
where: short stacking energy: -84.191
Base-Backbone interact. energy: -1.175
local terms energy: -93.268940
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -24.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -288.263373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.263373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.263373 (E_RNA)
where:
Base-Base interactions energy: -190.949
where: short stacking energy: -92.409
Base-Backbone interact. energy: -0.001
local terms energy: -97.313245
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -27.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -285.804015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.804015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.804015 (E_RNA)
where:
Base-Base interactions energy: -192.421
where: short stacking energy: -88.243
Base-Backbone interact. energy: -0.098
local terms energy: -93.285014
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -26.800
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: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -282.968847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.968847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.968847 (E_RNA)
where:
Base-Base interactions energy: -195.191
where: short stacking energy: -80.933
Base-Backbone interact. energy: -0.035
local terms energy: -87.742382
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -268.915492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.915492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.915492 (E_RNA)
where:
Base-Base interactions energy: -179.736
where: short stacking energy: -77.078
Base-Backbone interact. energy: -0.002
local terms energy: -89.178004
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -240.211970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.211970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.211970 (E_RNA)
where:
Base-Base interactions energy: -166.874
where: short stacking energy: -64.839
Base-Backbone interact. energy: 0.234
local terms energy: -73.571477
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -16.723
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: 429
Temperature: 1.200000
Total energy: -233.356801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.356801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.356801 (E_RNA)
where:
Base-Base interactions energy: -153.764
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.831
local terms energy: -78.761749
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -13.993
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: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -98.718896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.718896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.718896 (E_RNA)
where:
Base-Base interactions energy: -31.641
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.206
local terms energy: -66.871682
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -8.362
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: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -87.276898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.276898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.276898 (E_RNA)
where:
Base-Base interactions energy: -23.310
where: short stacking energy: -22.748
Base-Backbone interact. energy: -0.093
local terms energy: -63.873845
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -81.987435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.987435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.987435 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -23.277
Base-Backbone interact. energy: -0.188
local terms energy: -48.424809
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -5.092
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -294.701890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.701890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.701890 (E_RNA)
where:
Base-Base interactions energy: -199.934
where: short stacking energy: -90.573
Base-Backbone interact. energy: 0.368
local terms energy: -95.136156
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -12.414
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: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -291.748895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.748895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.748895 (E_RNA)
where:
Base-Base interactions energy: -204.631
where: short stacking energy: -85.162
Base-Backbone interact. energy: 0.318
local terms energy: -87.436103
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -22.661
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: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -283.341237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.341237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.341237 (E_RNA)
where:
Base-Base interactions energy: -188.633
where: short stacking energy: -88.703
Base-Backbone interact. energy: -0.486
local terms energy: -94.221851
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -278.791737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.791737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.791737 (E_RNA)
where:
Base-Base interactions energy: -192.851
where: short stacking energy: -75.290
Base-Backbone interact. energy: -0.179
local terms energy: -85.760976
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -22.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -258.768887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.768887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.768887 (E_RNA)
where:
Base-Base interactions energy: -176.167
where: short stacking energy: -78.280
Base-Backbone interact. energy: -0.133
local terms energy: -82.468486
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -10.383
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: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -249.549088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.549088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.549088 (E_RNA)
where:
Base-Base interactions energy: -166.513
where: short stacking energy: -64.688
Base-Backbone interact. energy: -1.127
local terms energy: -81.908879
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -234.336057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.336057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.336057 (E_RNA)
where:
Base-Base interactions energy: -151.396
where: short stacking energy: -70.238
Base-Backbone interact. energy: -1.785
local terms energy: -81.155288
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -12.108
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: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -113.211365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.211365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.211365 (E_RNA)
where:
Base-Base interactions energy: -49.236
where: short stacking energy: -34.027
Base-Backbone interact. energy: -0.320
local terms energy: -63.655662
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -7.911
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -7.865
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: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -97.747925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.747925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.747925 (E_RNA)
where:
Base-Base interactions energy: -26.982
where: short stacking energy: -26.982
Base-Backbone interact. energy: 0.102
local terms energy: -70.867897
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -90.545112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.545112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.545112 (E_RNA)
where:
Base-Base interactions energy: -40.015
where: short stacking energy: -31.655
Base-Backbone interact. energy: 0.706
local terms energy: -51.235657
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.948
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: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -294.445922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.445922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.445922 (E_RNA)
where:
Base-Base interactions energy: -202.448
where: short stacking energy: -83.193
Base-Backbone interact. energy: -0.086
local terms energy: -91.911264
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -22.512
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: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -286.193367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.193367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.193367 (E_RNA)
where:
Base-Base interactions energy: -192.469
where: short stacking energy: -77.843
Base-Backbone interact. energy: -0.083
local terms energy: -93.641613
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -283.513787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.513787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.513787 (E_RNA)
where:
Base-Base interactions energy: -191.586
where: short stacking energy: -77.599
Base-Backbone interact. energy: -0.079
local terms energy: -91.848411
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -23.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -283.496776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.496776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.496776 (E_RNA)
where:
Base-Base interactions energy: -196.469
where: short stacking energy: -82.603
Base-Backbone interact. energy: -0.066
local terms energy: -86.962109
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -9.421
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: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -242.993170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.993170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.993170 (E_RNA)
where:
Base-Base interactions energy: -158.068
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.013
local terms energy: -84.911702
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -24.286
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: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -238.327642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.327642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.327642 (E_RNA)
where:
Base-Base interactions energy: -160.503
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.002
local terms energy: -77.822624
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -239.718745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.718745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.718745 (E_RNA)
where:
Base-Base interactions energy: -155.943
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.194
local terms energy: -83.581586
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -109.650943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.650943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.650943 (E_RNA)
where:
Base-Base interactions energy: -57.486
where: short stacking energy: -34.675
Base-Backbone interact. energy: 1.847
local terms energy: -54.011267
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -90.371826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.371826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.371826 (E_RNA)
where:
Base-Base interactions energy: -28.358
where: short stacking energy: -17.192
Base-Backbone interact. energy: 1.198
local terms energy: -63.212096
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -93.086529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.086529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.086529 (E_RNA)
where:
Base-Base interactions energy: -37.521
where: short stacking energy: -24.585
Base-Backbone interact. energy: -0.151
local terms energy: -55.414549
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -292.374810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.374810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.374810 (E_RNA)
where:
Base-Base interactions energy: -200.951
where: short stacking energy: -79.356
Base-Backbone interact. energy: -0.174
local terms energy: -91.249270
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -294.327824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.327824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.327824 (E_RNA)
where:
Base-Base interactions energy: -200.039
where: short stacking energy: -81.226
Base-Backbone interact. energy: -0.058
local terms energy: -94.230967
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -14.446
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: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -283.805780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.805780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.805780 (E_RNA)
where:
Base-Base interactions energy: -192.783
where: short stacking energy: -83.040
Base-Backbone interact. energy: -0.318
local terms energy: -90.704784
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -285.573967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.573967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.573967 (E_RNA)
where:
Base-Base interactions energy: -194.061
where: short stacking energy: -83.464
Base-Backbone interact. energy: -0.015
local terms energy: -91.498570
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -265.502660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.502660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.502660 (E_RNA)
where:
Base-Base interactions energy: -171.005
where: short stacking energy: -80.896
Base-Backbone interact. energy: -0.018
local terms energy: -94.480043
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -29.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -257.368151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.368151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.368151 (E_RNA)
where:
Base-Base interactions energy: -174.894
where: short stacking energy: -72.277
Base-Backbone interact. energy: 1.107
local terms energy: -83.581079
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -262.962755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.962755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.962755 (E_RNA)
where:
Base-Base interactions energy: -175.378
where: short stacking energy: -79.179
Base-Backbone interact. energy: -0.041
local terms energy: -87.543690
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -24.603
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: 432
Temperature: 1.250000
Total energy: -86.270359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.270359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.270359 (E_RNA)
where:
Base-Base interactions energy: -36.355
where: short stacking energy: -27.160
Base-Backbone interact. energy: -0.217
local terms energy: -49.698165
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -6.506
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -106.469544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.469544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.469544 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -38.759
Base-Backbone interact. energy: 1.185
local terms energy: -63.424669
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -11.188
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: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -94.377251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.377251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.377251 (E_RNA)
where:
Base-Base interactions energy: -35.488
where: short stacking energy: -35.488
Base-Backbone interact. energy: -0.071
local terms energy: -58.818206
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -10.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -303.628671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.628671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.628671 (E_RNA)
where:
Base-Base interactions energy: -209.115
where: short stacking energy: -93.239
Base-Backbone interact. energy: -0.352
local terms energy: -94.162327
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -27.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -295.091077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.091077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.091077 (E_RNA)
where:
Base-Base interactions energy: -198.721
where: short stacking energy: -84.622
Base-Backbone interact. energy: -0.067
local terms energy: -96.303293
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -24.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -282.711347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.711347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.711347 (E_RNA)
where:
Base-Base interactions energy: -183.687
where: short stacking energy: -81.585
Base-Backbone interact. energy: -0.002
local terms energy: -99.022628
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -28.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -288.683960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.683960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.683960 (E_RNA)
where:
Base-Base interactions energy: -198.466
where: short stacking energy: -88.321
Base-Backbone interact. energy: -0.010
local terms energy: -90.207978
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -24.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -255.045183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.045183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.045183 (E_RNA)
where:
Base-Base interactions energy: -173.875
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.215
local terms energy: -80.954986
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -247.483893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.483893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.483893 (E_RNA)
where:
Base-Base interactions energy: -173.485
where: short stacking energy: -73.702
Base-Backbone interact. energy: -1.121
local terms energy: -72.878258
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -20.135
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: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -258.071917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.071917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.071917 (E_RNA)
where:
Base-Base interactions energy: -172.624
where: short stacking energy: -72.904
Base-Backbone interact. energy: -0.130
local terms energy: -85.318423
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -110.789037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.789037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.789037 (E_RNA)
where:
Base-Base interactions energy: -50.691
where: short stacking energy: -37.134
Base-Backbone interact. energy: -0.194
local terms energy: -59.904252
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -5.881
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: 433
Temperature: 1.300000
Total energy: -94.058423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.058423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.058423 (E_RNA)
where:
Base-Base interactions energy: -42.498
where: short stacking energy: -42.174
Base-Backbone interact. energy: 1.475
local terms energy: -53.035538
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -111.575217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.575217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.575217 (E_RNA)
where:
Base-Base interactions energy: -63.730
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.299
local terms energy: -47.546554
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -3.000
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: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -301.639346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.639346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.639346 (E_RNA)
where:
Base-Base interactions energy: -207.706
where: short stacking energy: -88.831
Base-Backbone interact. energy: -0.185
local terms energy: -93.748387
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -26.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -290.835583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.835583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.835583 (E_RNA)
where:
Base-Base interactions energy: -193.793
where: short stacking energy: -89.200
Base-Backbone interact. energy: -0.110
local terms energy: -96.932027
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -25.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -281.393057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.393057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.393057 (E_RNA)
where:
Base-Base interactions energy: -205.900
where: short stacking energy: -91.956
Base-Backbone interact. energy: -0.130
local terms energy: -75.362906
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -264.465156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.465156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.465156 (E_RNA)
where:
Base-Base interactions energy: -181.545
where: short stacking energy: -70.842
Base-Backbone interact. energy: -0.076
local terms energy: -82.843987
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -274.304763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.304763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.304763 (E_RNA)
where:
Base-Base interactions energy: -189.197
where: short stacking energy: -83.985
Base-Backbone interact. energy: -0.062
local terms energy: -85.045331
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -233.040475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.040475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.040475 (E_RNA)
where:
Base-Base interactions energy: -147.580
where: short stacking energy: -61.860
Base-Backbone interact. energy: -0.112
local terms energy: -85.348845
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -14.070
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: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -239.626216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.626216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.626216 (E_RNA)
where:
Base-Base interactions energy: -166.482
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.214
local terms energy: -72.930667
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -91.826630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.826630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.826630 (E_RNA)
where:
Base-Base interactions energy: -34.539
where: short stacking energy: -33.071
Base-Backbone interact. energy: -0.361
local terms energy: -56.926591
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -4.488
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: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -89.864805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.864805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.864805 (E_RNA)
where:
Base-Base interactions energy: -27.358
where: short stacking energy: -23.969
Base-Backbone interact. energy: 0.119
local terms energy: -62.625011
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: 3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -75.635265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.635265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.635265 (E_RNA)
where:
Base-Base interactions energy: -32.823
where: short stacking energy: -31.075
Base-Backbone interact. energy: 0.871
local terms energy: -43.682542
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -2.498
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -297.745939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.745939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.745939 (E_RNA)
where:
Base-Base interactions energy: -199.441
where: short stacking energy: -85.041
Base-Backbone interact. energy: -0.088
local terms energy: -98.216311
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -25.049
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: 435
Temperature: 0.950000
Total energy: -274.631089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.631089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.631089 (E_RNA)
where:
Base-Base interactions energy: -180.916
where: short stacking energy: -84.239
Base-Backbone interact. energy: -0.292
local terms energy: -93.423328
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -27.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -288.915384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.915384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.915384 (E_RNA)
where:
Base-Base interactions energy: -201.133
where: short stacking energy: -84.570
Base-Backbone interact. energy: -0.025
local terms energy: -87.758271
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -23.843
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: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -273.299463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.299463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.299463 (E_RNA)
where:
Base-Base interactions energy: -179.163
where: short stacking energy: -75.833
Base-Backbone interact. energy: -0.088
local terms energy: -94.048742
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -273.835065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.835065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.835065 (E_RNA)
where:
Base-Base interactions energy: -187.209
where: short stacking energy: -84.237
Base-Backbone interact. energy: -0.151
local terms energy: -86.475090
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -24.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -236.834314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.834314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.834314 (E_RNA)
where:
Base-Base interactions energy: -151.319
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.305
local terms energy: -85.209803
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -19.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -227.695608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.695608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.695608 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -68.452
Base-Backbone interact. energy: -2.655
local terms energy: -77.714119
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -106.212142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.212142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.212142 (E_RNA)
where:
Base-Base interactions energy: -42.315
where: short stacking energy: -32.640
Base-Backbone interact. energy: -0.376
local terms energy: -63.520507
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -5.878
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: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -85.470680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.470680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.470680 (E_RNA)
where:
Base-Base interactions energy: -34.354
where: short stacking energy: -32.543
Base-Backbone interact. energy: -0.205
local terms energy: -50.911409
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -99.465963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.465963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.465963 (E_RNA)
where:
Base-Base interactions energy: -37.596
where: short stacking energy: -28.142
Base-Backbone interact. energy: -0.492
local terms energy: -61.378234
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -3.815
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: 436
Temperature: 0.900000
Total energy: -294.152735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.152735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.152735 (E_RNA)
where:
Base-Base interactions energy: -196.440
where: short stacking energy: -81.470
Base-Backbone interact. energy: -1.261
local terms energy: -96.451693
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -22.547
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: 436
Temperature: 0.950000
Total energy: -285.855107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.855107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.855107 (E_RNA)
where:
Base-Base interactions energy: -185.271
where: short stacking energy: -83.475
Base-Backbone interact. energy: -0.302
local terms energy: -100.281298
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -30.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -281.225790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.225790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.225790 (E_RNA)
where:
Base-Base interactions energy: -182.249
where: short stacking energy: -90.164
Base-Backbone interact. energy: -0.081
local terms energy: -98.895136
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -27.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -285.408914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.408914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.408914 (E_RNA)
where:
Base-Base interactions energy: -190.105
where: short stacking energy: -78.018
Base-Backbone interact. energy: -0.190
local terms energy: -95.113269
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -23.543
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: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -244.363961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.363961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.363961 (E_RNA)
where:
Base-Base interactions energy: -160.759
where: short stacking energy: -61.899
Base-Backbone interact. energy: 0.166
local terms energy: -83.770254
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -265.378986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.378986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.378986 (E_RNA)
where:
Base-Base interactions energy: -176.764
where: short stacking energy: -73.019
Base-Backbone interact. energy: -0.061
local terms energy: -88.553481
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -22.224
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: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -239.339049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.339049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.339049 (E_RNA)
where:
Base-Base interactions energy: -157.023
where: short stacking energy: -69.131
Base-Backbone interact. energy: 0.815
local terms energy: -83.131913
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -97.598678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.598678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.598678 (E_RNA)
where:
Base-Base interactions energy: -33.657
where: short stacking energy: -33.657
Base-Backbone interact. energy: -0.048
local terms energy: -63.893698
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -96.655463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.655463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.655463 (E_RNA)
where:
Base-Base interactions energy: -37.693
where: short stacking energy: -26.249
Base-Backbone interact. energy: -0.336
local terms energy: -58.626963
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -87.860517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.860517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.860517 (E_RNA)
where:
Base-Base interactions energy: -31.199
where: short stacking energy: -28.837
Base-Backbone interact. energy: 1.194
local terms energy: -57.854758
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -296.248976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.248976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.248976 (E_RNA)
where:
Base-Base interactions energy: -192.955
where: short stacking energy: -89.846
Base-Backbone interact. energy: -1.358
local terms energy: -101.935266
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -26.512
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: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -288.936389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.936389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.936389 (E_RNA)
where:
Base-Base interactions energy: -189.798
where: short stacking energy: -83.324
Base-Backbone interact. energy: -1.026
local terms energy: -98.111536
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -279.737527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.737527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.737527 (E_RNA)
where:
Base-Base interactions energy: -191.978
where: short stacking energy: -83.633
Base-Backbone interact. energy: -0.008
local terms energy: -87.751573
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -24.765
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: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -261.893136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.893136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.893136 (E_RNA)
where:
Base-Base interactions energy: -171.327
where: short stacking energy: -75.737
Base-Backbone interact. energy: -0.136
local terms energy: -90.430082
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -256.675586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.675586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.675586 (E_RNA)
where:
Base-Base interactions energy: -180.969
where: short stacking energy: -78.749
Base-Backbone interact. energy: -0.092
local terms energy: -75.614159
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -24.256
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: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -241.804998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.804998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.804998 (E_RNA)
where:
Base-Base interactions energy: -158.389
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.173
local terms energy: -83.243333
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -261.921846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.921846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.921846 (E_RNA)
where:
Base-Base interactions energy: -181.289
where: short stacking energy: -79.997
Base-Backbone interact. energy: -0.205
local terms energy: -80.427736
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -105.077510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.077510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.077510 (E_RNA)
where:
Base-Base interactions energy: -33.995
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.039
local terms energy: -71.043044
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -96.325359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.325359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.325359 (E_RNA)
where:
Base-Base interactions energy: -40.377
where: short stacking energy: -36.263
Base-Backbone interact. energy: -0.265
local terms energy: -55.684060
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -90.692810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.692810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.692810 (E_RNA)
where:
Base-Base interactions energy: -34.454
where: short stacking energy: -24.359
Base-Backbone interact. energy: -0.944
local terms energy: -55.294185
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: 3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -299.134850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.134850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.134850 (E_RNA)
where:
Base-Base interactions energy: -206.042
where: short stacking energy: -88.450
Base-Backbone interact. energy: -0.078
local terms energy: -93.014878
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -26.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -281.889700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.889700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.889700 (E_RNA)
where:
Base-Base interactions energy: -186.234
where: short stacking energy: -84.780
Base-Backbone interact. energy: -0.616
local terms energy: -95.040266
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -26.836
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: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -257.442517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.442517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.442517 (E_RNA)
where:
Base-Base interactions energy: -174.688
where: short stacking energy: -75.743
Base-Backbone interact. energy: -0.101
local terms energy: -82.653362
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -267.915803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.915803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.915803 (E_RNA)
where:
Base-Base interactions energy: -174.157
where: short stacking energy: -79.995
Base-Backbone interact. energy: -1.202
local terms energy: -92.556337
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -24.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -256.933304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.933304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.933304 (E_RNA)
where:
Base-Base interactions energy: -171.341
where: short stacking energy: -76.182
Base-Backbone interact. energy: -0.195
local terms energy: -85.397202
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -21.038
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: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -267.629502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.629502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.629502 (E_RNA)
where:
Base-Base interactions energy: -183.129
where: short stacking energy: -78.782
Base-Backbone interact. energy: 3.395
local terms energy: -87.895259
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -26.771
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: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -240.126943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.126943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.126943 (E_RNA)
where:
Base-Base interactions energy: -158.010
where: short stacking energy: -59.365
Base-Backbone interact. energy: -0.046
local terms energy: -82.071046
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -102.725491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.725491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.725491 (E_RNA)
where:
Base-Base interactions energy: -38.794
where: short stacking energy: -38.794
Base-Backbone interact. energy: -0.100
local terms energy: -63.831453
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -105.219519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.219519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.219519 (E_RNA)
where:
Base-Base interactions energy: -37.107
where: short stacking energy: -37.107
Base-Backbone interact. energy: -0.035
local terms energy: -68.078112
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -82.709700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.709700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.709700 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -28.489
Base-Backbone interact. energy: 0.018
local terms energy: -47.145339
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -5.243
flat angles P-C4'-P energy: -9.549
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: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -284.927163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.927163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.927163 (E_RNA)
where:
Base-Base interactions energy: -194.726
where: short stacking energy: -81.652
Base-Backbone interact. energy: -0.404
local terms energy: -89.797724
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -292.423344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.423344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.423344 (E_RNA)
where:
Base-Base interactions energy: -197.445
where: short stacking energy: -86.421
Base-Backbone interact. energy: -0.037
local terms energy: -94.941340
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -28.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -287.839696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.839696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.839696 (E_RNA)
where:
Base-Base interactions energy: -201.242
where: short stacking energy: -77.691
Base-Backbone interact. energy: -0.036
local terms energy: -86.561551
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -23.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -270.802566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.802566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.802566 (E_RNA)
where:
Base-Base interactions energy: -178.666
where: short stacking energy: -73.508
Base-Backbone interact. energy: -0.004
local terms energy: -92.132493
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -12.044
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: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -269.501498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.501498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.501498 (E_RNA)
where:
Base-Base interactions energy: -194.390
where: short stacking energy: -80.692
Base-Backbone interact. energy: -0.167
local terms energy: -74.944591
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -24.939
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: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -238.356046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.356046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.356046 (E_RNA)
where:
Base-Base interactions energy: -151.725
where: short stacking energy: -64.587
Base-Backbone interact. energy: -0.013
local terms energy: -86.618607
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -264.589560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.589560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.589560 (E_RNA)
where:
Base-Base interactions energy: -184.479
where: short stacking energy: -86.352
Base-Backbone interact. energy: -0.049
local terms energy: -80.061162
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -23.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -106.674522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.674522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.674522 (E_RNA)
where:
Base-Base interactions energy: -36.812
where: short stacking energy: -36.812
Base-Backbone interact. energy: -0.096
local terms energy: -69.766871
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -105.978470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.978470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.978470 (E_RNA)
where:
Base-Base interactions energy: -36.686
where: short stacking energy: -34.907
Base-Backbone interact. energy: 1.010
local terms energy: -70.302243
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -91.117125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.117125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.117125 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -38.555
Base-Backbone interact. energy: -0.055
local terms energy: -50.065539
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -8.408
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -3.343
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: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -295.625836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.625836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.625836 (E_RNA)
where:
Base-Base interactions energy: -198.214
where: short stacking energy: -87.394
Base-Backbone interact. energy: -0.107
local terms energy: -97.304682
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -16.646
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: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -285.683512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.683512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.683512 (E_RNA)
where:
Base-Base interactions energy: -184.434
where: short stacking energy: -76.128
Base-Backbone interact. energy: -0.040
local terms energy: -101.210025
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -12.527
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: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -283.398026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.398026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.398026 (E_RNA)
where:
Base-Base interactions energy: -191.455
where: short stacking energy: -85.258
Base-Backbone interact. energy: 0.558
local terms energy: -92.500620
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -13.123
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: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -285.331572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.331572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.331572 (E_RNA)
where:
Base-Base interactions energy: -196.390
where: short stacking energy: -86.999
Base-Backbone interact. energy: 0.606
local terms energy: -89.547156
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -273.680541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.680541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.680541 (E_RNA)
where:
Base-Base interactions energy: -190.777
where: short stacking energy: -74.409
Base-Backbone interact. energy: -0.541
local terms energy: -82.363002
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -240.880503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.880503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.880503 (E_RNA)
where:
Base-Base interactions energy: -153.433
where: short stacking energy: -66.632
Base-Backbone interact. energy: 0.033
local terms energy: -87.481017
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -9.402
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: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -234.466270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.466270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.466270 (E_RNA)
where:
Base-Base interactions energy: -163.014
where: short stacking energy: -68.935
Base-Backbone interact. energy: -0.102
local terms energy: -71.350294
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -109.460854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.460854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.460854 (E_RNA)
where:
Base-Base interactions energy: -45.634
where: short stacking energy: -42.165
Base-Backbone interact. energy: -0.093
local terms energy: -63.734373
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -110.548477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.548477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.548477 (E_RNA)
where:
Base-Base interactions energy: -48.470
where: short stacking energy: -32.352
Base-Backbone interact. energy: -0.232
local terms energy: -61.847283
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -8.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -84.930024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930024 (E_RNA)
where:
Base-Base interactions energy: -29.677
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.197
local terms energy: -55.055509
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: 2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -294.519847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.519847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.519847 (E_RNA)
where:
Base-Base interactions energy: -196.578
where: short stacking energy: -82.160
Base-Backbone interact. energy: -0.056
local terms energy: -97.885463
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -287.697587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.697587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.697587 (E_RNA)
where:
Base-Base interactions energy: -198.882
where: short stacking energy: -86.135
Base-Backbone interact. energy: -0.188
local terms energy: -88.628465
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -26.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -283.537659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.537659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.537659 (E_RNA)
where:
Base-Base interactions energy: -194.063
where: short stacking energy: -79.430
Base-Backbone interact. energy: -0.927
local terms energy: -88.547991
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -22.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -277.351978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.351978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.351978 (E_RNA)
where:
Base-Base interactions energy: -190.220
where: short stacking energy: -78.390
Base-Backbone interact. energy: 0.699
local terms energy: -87.830988
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -10.350
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: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -269.398831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.398831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.398831 (E_RNA)
where:
Base-Base interactions energy: -181.970
where: short stacking energy: -80.210
Base-Backbone interact. energy: -0.042
local terms energy: -87.386884
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -243.777868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.777868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.777868 (E_RNA)
where:
Base-Base interactions energy: -160.494
where: short stacking energy: -76.076
Base-Backbone interact. energy: -0.662
local terms energy: -82.622460
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -242.067445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.067445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.067445 (E_RNA)
where:
Base-Base interactions energy: -158.740
where: short stacking energy: -65.796
Base-Backbone interact. energy: -1.825
local terms energy: -81.502835
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -97.264562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.264562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.264562 (E_RNA)
where:
Base-Base interactions energy: -45.771
where: short stacking energy: -40.011
Base-Backbone interact. energy: -0.262
local terms energy: -51.231209
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: 0.102
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: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -102.700640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.700640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.700640 (E_RNA)
where:
Base-Base interactions energy: -36.266
where: short stacking energy: -36.266
Base-Backbone interact. energy: -0.139
local terms energy: -66.295195
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -9.495
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: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -82.565658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.565658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.565658 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -27.494
Base-Backbone interact. energy: -0.276
local terms energy: -51.419677
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: 2.806
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: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -289.169814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.169814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.169814 (E_RNA)
where:
Base-Base interactions energy: -193.741
where: short stacking energy: -85.379
Base-Backbone interact. energy: -0.135
local terms energy: -95.293603
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -25.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -294.211325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.211325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.211325 (E_RNA)
where:
Base-Base interactions energy: -200.539
where: short stacking energy: -82.446
Base-Backbone interact. energy: -0.038
local terms energy: -93.634832
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -15.375
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: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -285.786634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.786634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.786634 (E_RNA)
where:
Base-Base interactions energy: -197.980
where: short stacking energy: -83.344
Base-Backbone interact. energy: 0.647
local terms energy: -88.454053
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -281.053960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.053960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.053960 (E_RNA)
where:
Base-Base interactions energy: -193.371
where: short stacking energy: -79.996
Base-Backbone interact. energy: 1.765
local terms energy: -89.448026
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -240.678610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.678610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.678610 (E_RNA)
where:
Base-Base interactions energy: -151.138
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.101
local terms energy: -89.439430
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -251.422644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.422644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.422644 (E_RNA)
where:
Base-Base interactions energy: -169.722
where: short stacking energy: -75.242
Base-Backbone interact. energy: -0.355
local terms energy: -81.345216
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -239.110384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.110384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.110384 (E_RNA)
where:
Base-Base interactions energy: -156.664
where: short stacking energy: -72.982
Base-Backbone interact. energy: -0.100
local terms energy: -82.346645
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -97.850172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.850172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.850172 (E_RNA)
where:
Base-Base interactions energy: -37.344
where: short stacking energy: -33.888
Base-Backbone interact. energy: -0.409
local terms energy: -60.097954
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -101.801078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.801078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.801078 (E_RNA)
where:
Base-Base interactions energy: -47.672
where: short stacking energy: -39.461
Base-Backbone interact. energy: 0.651
local terms energy: -54.780707
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -86.357626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.357626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.357626 (E_RNA)
where:
Base-Base interactions energy: -30.410
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.321
local terms energy: -55.627149
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -298.948452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.948452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.948452 (E_RNA)
where:
Base-Base interactions energy: -197.295
where: short stacking energy: -92.873
Base-Backbone interact. energy: -0.095
local terms energy: -101.558793
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -30.467
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: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -291.105652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.105652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.105652 (E_RNA)
where:
Base-Base interactions energy: -198.781
where: short stacking energy: -82.054
Base-Backbone interact. energy: -0.101
local terms energy: -92.223016
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -27.681
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: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -291.008797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.008797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.008797 (E_RNA)
where:
Base-Base interactions energy: -196.137
where: short stacking energy: -82.983
Base-Backbone interact. energy: -0.035
local terms energy: -94.836978
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -273.028693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.028693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.028693 (E_RNA)
where:
Base-Base interactions energy: -181.472
where: short stacking energy: -81.138
Base-Backbone interact. energy: -0.017
local terms energy: -91.539506
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -13.342
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: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -238.739789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.739789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.739789 (E_RNA)
where:
Base-Base interactions energy: -154.563
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.112
local terms energy: -84.064620
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -19.550
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: 443
Temperature: 1.150000
Total energy: -260.489061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.489061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.489061 (E_RNA)
where:
Base-Base interactions energy: -177.228
where: short stacking energy: -78.916
Base-Backbone interact. energy: -0.225
local terms energy: -83.035654
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -25.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -251.348313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.348313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.348313 (E_RNA)
where:
Base-Base interactions energy: -169.851
where: short stacking energy: -72.086
Base-Backbone interact. energy: -0.113
local terms energy: -81.384159
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -112.212314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.212314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.212314 (E_RNA)
where:
Base-Base interactions energy: -46.947
where: short stacking energy: -30.102
Base-Backbone interact. energy: -0.931
local terms energy: -64.333850
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -5.150
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: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -104.863185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.863185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.863185 (E_RNA)
where:
Base-Base interactions energy: -51.997
where: short stacking energy: -36.258
Base-Backbone interact. energy: -0.266
local terms energy: -52.600511
where:
bonds (distance) C4'-P energy: -7.651
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -81.915094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.915094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.915094 (E_RNA)
where:
Base-Base interactions energy: -24.348
where: short stacking energy: -24.348
Base-Backbone interact. energy: -0.035
local terms energy: -57.532190
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -288.143452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.143452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.143452 (E_RNA)
where:
Base-Base interactions energy: -205.783
where: short stacking energy: -80.273
Base-Backbone interact. energy: -0.012
local terms energy: -82.349046
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -285.349251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.349251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.349251 (E_RNA)
where:
Base-Base interactions energy: -186.542
where: short stacking energy: -81.389
Base-Backbone interact. energy: -0.236
local terms energy: -98.571388
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -24.811
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: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -286.030871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.030871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.030871 (E_RNA)
where:
Base-Base interactions energy: -195.488
where: short stacking energy: -90.698
Base-Backbone interact. energy: -0.072
local terms energy: -90.471155
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -25.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -289.899580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.899580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.899580 (E_RNA)
where:
Base-Base interactions energy: -200.334
where: short stacking energy: -78.087
Base-Backbone interact. energy: -0.226
local terms energy: -89.339918
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -26.239
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: 444
Temperature: 1.100000
Total energy: -249.879092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.879092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.879092 (E_RNA)
where:
Base-Base interactions energy: -170.882
where: short stacking energy: -72.218
Base-Backbone interact. energy: -0.061
local terms energy: -78.936227
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -20.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -240.092799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.092799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.092799 (E_RNA)
where:
Base-Base interactions energy: -158.104
where: short stacking energy: -63.593
Base-Backbone interact. energy: 2.023
local terms energy: -84.012167
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -228.789037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.789037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.789037 (E_RNA)
where:
Base-Base interactions energy: -143.946
where: short stacking energy: -58.107
Base-Backbone interact. energy: -0.742
local terms energy: -84.100736
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -114.334220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.334220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.334220 (E_RNA)
where:
Base-Base interactions energy: -48.489
where: short stacking energy: -35.686
Base-Backbone interact. energy: -0.294
local terms energy: -65.551187
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -102.492752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.492752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.492752 (E_RNA)
where:
Base-Base interactions energy: -31.927
where: short stacking energy: -27.731
Base-Backbone interact. energy: 1.022
local terms energy: -71.587352
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -15.080
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: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -88.769168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.769168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.769168 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -19.044
Base-Backbone interact. energy: -0.283
local terms energy: -53.745080
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -0.493
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: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -289.957221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.957221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.957221 (E_RNA)
where:
Base-Base interactions energy: -185.520
where: short stacking energy: -82.567
Base-Backbone interact. energy: -0.001
local terms energy: -104.436099
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -16.379
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: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -286.778662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.778662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.778662 (E_RNA)
where:
Base-Base interactions energy: -187.337
where: short stacking energy: -86.677
Base-Backbone interact. energy: -0.258
local terms energy: -99.183301
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -18.069
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: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -284.032637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.032637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.032637 (E_RNA)
where:
Base-Base interactions energy: -193.171
where: short stacking energy: -81.969
Base-Backbone interact. energy: -0.342
local terms energy: -90.519741
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -14.634
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: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -269.903282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.903282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.903282 (E_RNA)
where:
Base-Base interactions energy: -187.921
where: short stacking energy: -73.227
Base-Backbone interact. energy: -0.382
local terms energy: -81.599528
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -24.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -247.729820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.729820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.729820 (E_RNA)
where:
Base-Base interactions energy: -164.754
where: short stacking energy: -67.203
Base-Backbone interact. energy: -0.220
local terms energy: -82.755493
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -241.227081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.227081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.227081 (E_RNA)
where:
Base-Base interactions energy: -166.358
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.383
local terms energy: -74.486212
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -217.314755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.314755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.314755 (E_RNA)
where:
Base-Base interactions energy: -142.423
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.448
local terms energy: -74.443778
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -95.316117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.316117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.316117 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.278
local terms energy: -58.961859
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -95.679496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.679496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.679496 (E_RNA)
where:
Base-Base interactions energy: -33.883
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.080
local terms energy: -61.716165
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -7.724
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: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -88.182693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.182693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.182693 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -30.045
Base-Backbone interact. energy: -0.038
local terms energy: -56.826936
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -6.743
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: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -287.198227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.198227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.198227 (E_RNA)
where:
Base-Base interactions energy: -191.997
where: short stacking energy: -90.480
Base-Backbone interact. energy: -0.315
local terms energy: -94.886155
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -25.148
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: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -286.956753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.956753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.956753 (E_RNA)
where:
Base-Base interactions energy: -192.595
where: short stacking energy: -78.736
Base-Backbone interact. energy: -0.083
local terms energy: -94.278647
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -23.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -261.837188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.837188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.837188 (E_RNA)
where:
Base-Base interactions energy: -174.559
where: short stacking energy: -77.951
Base-Backbone interact. energy: -0.015
local terms energy: -87.263216
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -273.900431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.900431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.900431 (E_RNA)
where:
Base-Base interactions energy: -179.317
where: short stacking energy: -87.539
Base-Backbone interact. energy: -0.280
local terms energy: -94.303342
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -26.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -273.790351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.790351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.790351 (E_RNA)
where:
Base-Base interactions energy: -188.000
where: short stacking energy: -75.403
Base-Backbone interact. energy: 0.266
local terms energy: -86.056608
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -253.237711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.237711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.237711 (E_RNA)
where:
Base-Base interactions energy: -177.402
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.025
local terms energy: -75.810231
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -245.870964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.870964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.870964 (E_RNA)
where:
Base-Base interactions energy: -166.917
where: short stacking energy: -67.310
Base-Backbone interact. energy: 0.722
local terms energy: -79.675953
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -99.308039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.308039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.308039 (E_RNA)
where:
Base-Base interactions energy: -39.461
where: short stacking energy: -29.170
Base-Backbone interact. energy: -0.204
local terms energy: -59.643106
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: 0.944
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: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -99.506516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.506516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.506516 (E_RNA)
where:
Base-Base interactions energy: -41.998
where: short stacking energy: -28.175
Base-Backbone interact. energy: -0.292
local terms energy: -57.217175
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -1.794
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: 446
Temperature: 1.350000
Total energy: -89.479120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.479120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.479120 (E_RNA)
where:
Base-Base interactions energy: -31.571
where: short stacking energy: -31.571
Base-Backbone interact. energy: -0.186
local terms energy: -57.722770
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -9.155
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: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -296.600617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.600617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.600617 (E_RNA)
where:
Base-Base interactions energy: -208.893
where: short stacking energy: -92.255
Base-Backbone interact. energy: -0.250
local terms energy: -87.457653
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -22.354
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: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -278.770464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.770464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.770464 (E_RNA)
where:
Base-Base interactions energy: -183.833
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.050
local terms energy: -94.887514
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -15.652
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: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -282.190517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.190517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.190517 (E_RNA)
where:
Base-Base interactions energy: -189.839
where: short stacking energy: -84.402
Base-Backbone interact. energy: -0.025
local terms energy: -92.326482
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -291.737795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.737795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.737795 (E_RNA)
where:
Base-Base interactions energy: -202.348
where: short stacking energy: -84.159
Base-Backbone interact. energy: -0.188
local terms energy: -89.202031
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -24.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -268.625515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.625515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.625515 (E_RNA)
where:
Base-Base interactions energy: -182.419
where: short stacking energy: -76.381
Base-Backbone interact. energy: -0.091
local terms energy: -86.114840
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -257.678703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.678703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.678703 (E_RNA)
where:
Base-Base interactions energy: -178.261
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.238
local terms energy: -79.180330
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -249.133490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.133490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.133490 (E_RNA)
where:
Base-Base interactions energy: -163.634
where: short stacking energy: -83.028
Base-Backbone interact. energy: -0.012
local terms energy: -85.487653
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -99.419640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.419640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.419640 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.094
local terms energy: -60.841579
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -94.016634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.016634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.016634 (E_RNA)
where:
Base-Base interactions energy: -30.055
where: short stacking energy: -28.278
Base-Backbone interact. energy: 0.147
local terms energy: -64.108424
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: 0.788
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: 447
Temperature: 1.350000
Total energy: -82.342575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.342575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.342575 (E_RNA)
where:
Base-Base interactions energy: -25.854
where: short stacking energy: -25.854
Base-Backbone interact. energy: -0.358
local terms energy: -56.130210
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.755
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: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -300.267439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.267439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.267439 (E_RNA)
where:
Base-Base interactions energy: -202.021
where: short stacking energy: -87.393
Base-Backbone interact. energy: -0.016
local terms energy: -98.230894
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -13.721
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: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -287.022496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.022496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.022496 (E_RNA)
where:
Base-Base interactions energy: -208.912
where: short stacking energy: -72.732
Base-Backbone interact. energy: -0.088
local terms energy: -78.022791
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -290.861876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.861876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.861876 (E_RNA)
where:
Base-Base interactions energy: -196.137
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.160
local terms energy: -94.564327
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -276.400834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.400834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.400834 (E_RNA)
where:
Base-Base interactions energy: -186.558
where: short stacking energy: -86.172
Base-Backbone interact. energy: -0.129
local terms energy: -89.713791
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -14.160
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: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -255.597516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.597516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.597516 (E_RNA)
where:
Base-Base interactions energy: -165.699
where: short stacking energy: -77.764
Base-Backbone interact. energy: -0.124
local terms energy: -89.774514
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -22.537
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: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -264.196563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.196563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.196563 (E_RNA)
where:
Base-Base interactions energy: -179.814
where: short stacking energy: -76.553
Base-Backbone interact. energy: -0.125
local terms energy: -84.257876
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -243.257632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.257632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.257632 (E_RNA)
where:
Base-Base interactions energy: -151.685
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.020
local terms energy: -91.552862
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -92.460634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.460634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.460634 (E_RNA)
where:
Base-Base interactions energy: -34.785
where: short stacking energy: -32.618
Base-Backbone interact. energy: -0.332
local terms energy: -57.343078
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -3.270
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: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -95.068326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.068326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.068326 (E_RNA)
where:
Base-Base interactions energy: -37.202
where: short stacking energy: -34.134
Base-Backbone interact. energy: -0.170
local terms energy: -57.695562
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -7.987
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: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -93.903628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.903628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.903628 (E_RNA)
where:
Base-Base interactions energy: -36.424
where: short stacking energy: -34.486
Base-Backbone interact. energy: -0.206
local terms energy: -57.274091
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -7.144
flat angles P-C4'-P energy: -6.262
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: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -297.984383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.984383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.984383 (E_RNA)
where:
Base-Base interactions energy: -206.607
where: short stacking energy: -90.270
Base-Backbone interact. energy: -0.055
local terms energy: -91.322441
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -27.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -295.149290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.149290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.149290 (E_RNA)
where:
Base-Base interactions energy: -199.907
where: short stacking energy: -79.333
Base-Backbone interact. energy: -0.246
local terms energy: -94.996365
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -25.074
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: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -282.450831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.450831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.450831 (E_RNA)
where:
Base-Base interactions energy: -189.242
where: short stacking energy: -78.135
Base-Backbone interact. energy: -0.046
local terms energy: -93.162751
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -15.514
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: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -256.405126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.405126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.405126 (E_RNA)
where:
Base-Base interactions energy: -170.721
where: short stacking energy: -67.897
Base-Backbone interact. energy: -0.141
local terms energy: -85.542640
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -275.329188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.329188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.329188 (E_RNA)
where:
Base-Base interactions energy: -182.258
where: short stacking energy: -79.284
Base-Backbone interact. energy: 1.032
local terms energy: -94.103065
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -13.708
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: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -266.178445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.178445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.178445 (E_RNA)
where:
Base-Base interactions energy: -188.565
where: short stacking energy: -78.329
Base-Backbone interact. energy: -0.174
local terms energy: -77.439506
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -21.136
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: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -249.432828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.432828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.432828 (E_RNA)
where:
Base-Base interactions energy: -163.225
where: short stacking energy: -68.902
Base-Backbone interact. energy: -0.100
local terms energy: -86.108175
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -13.949
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: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -117.206563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.206563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.206563 (E_RNA)
where:
Base-Base interactions energy: -53.816
where: short stacking energy: -25.566
Base-Backbone interact. energy: 0.153
local terms energy: -63.544011
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -96.789107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.789107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.789107 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -32.868
Base-Backbone interact. energy: -0.154
local terms energy: -58.787178
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -88.178721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.178721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.178721 (E_RNA)
where:
Base-Base interactions energy: -30.160
where: short stacking energy: -25.955
Base-Backbone interact. energy: 0.261
local terms energy: -58.279655
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -0.955
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: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -300.079257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.079257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.079257 (E_RNA)
where:
Base-Base interactions energy: -206.231
where: short stacking energy: -82.599
Base-Backbone interact. energy: -0.114
local terms energy: -93.734729
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -12.445
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: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -291.672876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.672876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.672876 (E_RNA)
where:
Base-Base interactions energy: -195.628
where: short stacking energy: -82.798
Base-Backbone interact. energy: 0.711
local terms energy: -96.756168
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -283.370874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.370874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.370874 (E_RNA)
where:
Base-Base interactions energy: -189.691
where: short stacking energy: -88.432
Base-Backbone interact. energy: -0.605
local terms energy: -93.074621
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -12.209
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: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -235.258511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.258511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.258511 (E_RNA)
where:
Base-Base interactions energy: -152.793
where: short stacking energy: -72.903
Base-Backbone interact. energy: -0.565
local terms energy: -81.900381
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -265.086445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.086445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.086445 (E_RNA)
where:
Base-Base interactions energy: -181.977
where: short stacking energy: -77.834
Base-Backbone interact. energy: 0.123
local terms energy: -83.232735
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -22.351
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: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -248.321763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.321763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.321763 (E_RNA)
where:
Base-Base interactions energy: -169.796
where: short stacking energy: -76.397
Base-Backbone interact. energy: 1.876
local terms energy: -80.401579
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -23.187
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: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -261.309035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.309035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.309035 (E_RNA)
where:
Base-Base interactions energy: -179.882
where: short stacking energy: -79.085
Base-Backbone interact. energy: -0.101
local terms energy: -81.325891
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -93.583481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.583481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.583481 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.339
local terms energy: -54.202982
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -91.513776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.513776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.513776 (E_RNA)
where:
Base-Base interactions energy: -39.099
where: short stacking energy: -26.466
Base-Backbone interact. energy: -0.358
local terms energy: -52.056977
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -82.302271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.302271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.302271 (E_RNA)
where:
Base-Base interactions energy: -20.428
where: short stacking energy: -18.587
Base-Backbone interact. energy: -0.259
local terms energy: -61.614872
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -290.788887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.788887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.788887 (E_RNA)
where:
Base-Base interactions energy: -199.415
where: short stacking energy: -81.193
Base-Backbone interact. energy: -0.083
local terms energy: -91.290773
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -290.979622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.979622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.979622 (E_RNA)
where:
Base-Base interactions energy: -196.893
where: short stacking energy: -91.225
Base-Backbone interact. energy: -0.066
local terms energy: -94.020350
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -27.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -291.973662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.973662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.973662 (E_RNA)
where:
Base-Base interactions energy: -197.909
where: short stacking energy: -79.040
Base-Backbone interact. energy: -0.224
local terms energy: -93.841425
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -23.665
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: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -254.921351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.921351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.921351 (E_RNA)
where:
Base-Base interactions energy: -171.917
where: short stacking energy: -77.805
Base-Backbone interact. energy: -0.191
local terms energy: -82.812688
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -6.094
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: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -244.420817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.420817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.420817 (E_RNA)
where:
Base-Base interactions energy: -175.264
where: short stacking energy: -73.758
Base-Backbone interact. energy: 0.240
local terms energy: -69.396657
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -17.750
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: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -272.646467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.646467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.646467 (E_RNA)
where:
Base-Base interactions energy: -192.402
where: short stacking energy: -80.671
Base-Backbone interact. energy: -0.011
local terms energy: -80.232921
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -22.027
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: 451
Temperature: 1.200000
Total energy: -240.435368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.435368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.435368 (E_RNA)
where:
Base-Base interactions energy: -163.553
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.169
local terms energy: -76.713586
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -126.041902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.041902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.041902 (E_RNA)
where:
Base-Base interactions energy: -67.012
where: short stacking energy: -23.602
Base-Backbone interact. energy: 0.095
local terms energy: -59.125480
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: 1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -100.081924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.081924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.081924 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -29.236
Base-Backbone interact. energy: -0.014
local terms energy: -66.029559
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -97.529237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.529237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.529237 (E_RNA)
where:
Base-Base interactions energy: -34.976
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.170
local terms energy: -62.383094
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -10.392
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: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -303.307051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.307051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.307051 (E_RNA)
where:
Base-Base interactions energy: -202.264
where: short stacking energy: -89.458
Base-Backbone interact. energy: -0.104
local terms energy: -100.938935
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -26.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -280.859635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.859635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.859635 (E_RNA)
where:
Base-Base interactions energy: -190.710
where: short stacking energy: -81.656
Base-Backbone interact. energy: -0.093
local terms energy: -90.057239
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -291.469512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.469512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.469512 (E_RNA)
where:
Base-Base interactions energy: -201.385
where: short stacking energy: -86.836
Base-Backbone interact. energy: -0.104
local terms energy: -89.980695
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -12.965
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: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -266.824941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.824941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.824941 (E_RNA)
where:
Base-Base interactions energy: -179.866
where: short stacking energy: -85.048
Base-Backbone interact. energy: -0.103
local terms energy: -86.856032
where:
bonds (distance) C4'-P energy: -18.332
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -271.886787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.886787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.886787 (E_RNA)
where:
Base-Base interactions energy: -183.497
where: short stacking energy: -77.079
Base-Backbone interact. energy: -0.005
local terms energy: -88.384106
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -10.070
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: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -242.179309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.179309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.179309 (E_RNA)
where:
Base-Base interactions energy: -152.762
where: short stacking energy: -72.279
Base-Backbone interact. energy: -0.195
local terms energy: -89.222896
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -257.057052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.057052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.057052 (E_RNA)
where:
Base-Base interactions energy: -172.583
where: short stacking energy: -67.266
Base-Backbone interact. energy: -0.132
local terms energy: -84.341899
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -110.779597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.779597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.779597 (E_RNA)
where:
Base-Base interactions energy: -43.315
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.458
local terms energy: -67.006722
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -8.224
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: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -87.807361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.807361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.807361 (E_RNA)
where:
Base-Base interactions energy: -29.289
where: short stacking energy: -24.369
Base-Backbone interact. energy: -0.604
local terms energy: -57.914278
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -13.314
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: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -96.873862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.873862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.873862 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -34.342
Base-Backbone interact. energy: -0.175
local terms energy: -59.602147
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -298.051586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.051586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.051586 (E_RNA)
where:
Base-Base interactions energy: -206.616
where: short stacking energy: -85.073
Base-Backbone interact. energy: -0.100
local terms energy: -91.334725
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -25.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -291.054683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.054683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.054683 (E_RNA)
where:
Base-Base interactions energy: -199.689
where: short stacking energy: -81.847
Base-Backbone interact. energy: -0.032
local terms energy: -91.334237
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -24.763
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: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -284.657653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.657653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.657653 (E_RNA)
where:
Base-Base interactions energy: -193.099
where: short stacking energy: -78.212
Base-Backbone interact. energy: -0.049
local terms energy: -91.508869
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -282.868365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.868365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.868365 (E_RNA)
where:
Base-Base interactions energy: -192.814
where: short stacking energy: -78.804
Base-Backbone interact. energy: -0.031
local terms energy: -90.023694
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -261.932796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.932796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.932796 (E_RNA)
where:
Base-Base interactions energy: -168.930
where: short stacking energy: -72.735
Base-Backbone interact. energy: 0.568
local terms energy: -93.570660
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -258.219794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.219794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.219794 (E_RNA)
where:
Base-Base interactions energy: -178.805
where: short stacking energy: -83.162
Base-Backbone interact. energy: 0.880
local terms energy: -80.295187
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -255.915350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.915350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.915350 (E_RNA)
where:
Base-Base interactions energy: -173.450
where: short stacking energy: -77.820
Base-Backbone interact. energy: -0.101
local terms energy: -82.364288
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -10.182
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: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -89.506410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.506410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.506410 (E_RNA)
where:
Base-Base interactions energy: -34.615
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.239
local terms energy: -54.652824
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -137.710086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.710086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.710086 (E_RNA)
where:
Base-Base interactions energy: -81.558
where: short stacking energy: -35.826
Base-Backbone interact. energy: -1.364
local terms energy: -54.787308
where:
bonds (distance) C4'-P energy: -6.430
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -4.665
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: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -90.126259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.126259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.126259 (E_RNA)
where:
Base-Base interactions energy: -32.584
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.202
local terms energy: -57.340940
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.848
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: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -308.611227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.611227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.611227 (E_RNA)
where:
Base-Base interactions energy: -209.596
where: short stacking energy: -86.658
Base-Backbone interact. energy: -0.089
local terms energy: -98.926387
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -27.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -286.688245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.688245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.688245 (E_RNA)
where:
Base-Base interactions energy: -184.130
where: short stacking energy: -79.733
Base-Backbone interact. energy: -0.626
local terms energy: -101.932462
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -16.166
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: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -282.718244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.718244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.718244 (E_RNA)
where:
Base-Base interactions energy: -192.778
where: short stacking energy: -78.480
Base-Backbone interact. energy: -0.536
local terms energy: -89.404537
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -24.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -260.666058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.666058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.666058 (E_RNA)
where:
Base-Base interactions energy: -171.335
where: short stacking energy: -70.547
Base-Backbone interact. energy: -0.035
local terms energy: -89.296527
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -258.612760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.612760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.612760 (E_RNA)
where:
Base-Base interactions energy: -174.310
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.082
local terms energy: -84.221007
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -261.563398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.563398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.563398 (E_RNA)
where:
Base-Base interactions energy: -179.269
where: short stacking energy: -80.627
Base-Backbone interact. energy: -0.404
local terms energy: -81.890443
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -7.886
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -241.080808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.080808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.080808 (E_RNA)
where:
Base-Base interactions energy: -159.505
where: short stacking energy: -67.955
Base-Backbone interact. energy: -0.115
local terms energy: -81.460043
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -108.624976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.624976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.624976 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.232
local terms energy: -59.021637
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -89.226471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.226471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.226471 (E_RNA)
where:
Base-Base interactions energy: -31.337
where: short stacking energy: -23.597
Base-Backbone interact. energy: -0.862
local terms energy: -57.028431
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -8.026
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: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -148.255308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.255308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.255308 (E_RNA)
where:
Base-Base interactions energy: -91.132
where: short stacking energy: -44.167
Base-Backbone interact. energy: -0.733
local terms energy: -56.389988
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -2.078
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: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -310.718886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.718886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.718886 (E_RNA)
where:
Base-Base interactions energy: -215.385
where: short stacking energy: -96.003
Base-Backbone interact. energy: -0.103
local terms energy: -95.231513
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -28.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -287.272048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.272048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.272048 (E_RNA)
where:
Base-Base interactions energy: -197.918
where: short stacking energy: -79.737
Base-Backbone interact. energy: -0.468
local terms energy: -88.885478
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -25.640
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: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -278.618168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.618168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.618168 (E_RNA)
where:
Base-Base interactions energy: -181.472
where: short stacking energy: -87.904
Base-Backbone interact. energy: -0.172
local terms energy: -96.973936
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -30.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -287.584720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.584720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.584720 (E_RNA)
where:
Base-Base interactions energy: -196.678
where: short stacking energy: -85.009
Base-Backbone interact. energy: -0.028
local terms energy: -90.879100
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -8.441
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: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -237.471281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.471281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.471281 (E_RNA)
where:
Base-Base interactions energy: -158.390
where: short stacking energy: -63.633
Base-Backbone interact. energy: -0.004
local terms energy: -79.077378
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -270.873665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.873665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.873665 (E_RNA)
where:
Base-Base interactions energy: -179.895
where: short stacking energy: -77.952
Base-Backbone interact. energy: -0.176
local terms energy: -90.803184
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -224.843059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.843059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.843059 (E_RNA)
where:
Base-Base interactions energy: -154.348
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.058
local terms energy: -70.437330
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -216.792093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.792093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.792093 (E_RNA)
where:
Base-Base interactions energy: -144.362
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.472
local terms energy: -71.957978
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.795
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: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -101.101577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.101577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.101577 (E_RNA)
where:
Base-Base interactions energy: -42.814
where: short stacking energy: -20.829
Base-Backbone interact. energy: -0.329
local terms energy: -57.959077
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -174.053207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.053207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.053207 (E_RNA)
where:
Base-Base interactions energy: -115.013
where: short stacking energy: -46.771
Base-Backbone interact. energy: -0.515
local terms energy: -58.525510
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -296.666691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.666691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.666691 (E_RNA)
where:
Base-Base interactions energy: -199.440
where: short stacking energy: -85.837
Base-Backbone interact. energy: -0.039
local terms energy: -97.188421
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -24.899
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: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -301.635799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.635799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.635799 (E_RNA)
where:
Base-Base interactions energy: -205.181
where: short stacking energy: -82.625
Base-Backbone interact. energy: -0.122
local terms energy: -96.331963
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -277.742856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.742856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.742856 (E_RNA)
where:
Base-Base interactions energy: -192.331
where: short stacking energy: -69.931
Base-Backbone interact. energy: 1.788
local terms energy: -87.199270
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -277.246186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.246186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.246186 (E_RNA)
where:
Base-Base interactions energy: -191.812
where: short stacking energy: -75.458
Base-Backbone interact. energy: -0.054
local terms energy: -85.380140
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -27.189
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -278.492157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.492157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.492157 (E_RNA)
where:
Base-Base interactions energy: -187.653
where: short stacking energy: -81.582
Base-Backbone interact. energy: 0.508
local terms energy: -91.347516
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -25.335
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: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -233.782879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.782879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.782879 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -65.823
Base-Backbone interact. energy: -0.119
local terms energy: -81.119777
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -220.475067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.475067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.475067 (E_RNA)
where:
Base-Base interactions energy: -141.661
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.139
local terms energy: -78.675968
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -228.199124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.199124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.199124 (E_RNA)
where:
Base-Base interactions energy: -154.421
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.122
local terms energy: -73.656275
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -190.932738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.932738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.932738 (E_RNA)
where:
Base-Base interactions energy: -115.982
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.262
local terms energy: -74.689362
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -97.272027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.272027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.272027 (E_RNA)
where:
Base-Base interactions energy: -42.758
where: short stacking energy: -26.908
Base-Backbone interact. energy: 0.695
local terms energy: -55.209443
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -285.718412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.718412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.718412 (E_RNA)
where:
Base-Base interactions energy: -197.721
where: short stacking energy: -84.839
Base-Backbone interact. energy: 0.268
local terms energy: -88.265098
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -301.854943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.854943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.854943 (E_RNA)
where:
Base-Base interactions energy: -205.003
where: short stacking energy: -84.654
Base-Backbone interact. energy: -0.389
local terms energy: -96.463353
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -24.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -278.960776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.960776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.960776 (E_RNA)
where:
Base-Base interactions energy: -182.264
where: short stacking energy: -82.114
Base-Backbone interact. energy: -0.005
local terms energy: -96.691056
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -30.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -276.666382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.666382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.666382 (E_RNA)
where:
Base-Base interactions energy: -190.880
where: short stacking energy: -79.725
Base-Backbone interact. energy: -0.344
local terms energy: -85.442284
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -25.241
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: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -282.268479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.268479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.268479 (E_RNA)
where:
Base-Base interactions energy: -198.080
where: short stacking energy: -82.509
Base-Backbone interact. energy: -0.013
local terms energy: -84.175284
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -22.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -236.847557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.847557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.847557 (E_RNA)
where:
Base-Base interactions energy: -155.211
where: short stacking energy: -66.745
Base-Backbone interact. energy: -0.724
local terms energy: -80.912489
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -247.576754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.576754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.576754 (E_RNA)
where:
Base-Base interactions energy: -165.843
where: short stacking energy: -68.585
Base-Backbone interact. energy: -0.214
local terms energy: -81.520293
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -8.451
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: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -228.090865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.090865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.090865 (E_RNA)
where:
Base-Base interactions energy: -149.625
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.618
local terms energy: -77.848280
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -10.934
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: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -185.691278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.691278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.691278 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -52.709
Base-Backbone interact. energy: -0.064
local terms energy: -54.555857
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -2.570
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: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -103.038794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.038794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.038794 (E_RNA)
where:
Base-Base interactions energy: -47.246
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.149
local terms energy: -55.643703
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -295.417496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.417496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.417496 (E_RNA)
where:
Base-Base interactions energy: -204.267
where: short stacking energy: -78.123
Base-Backbone interact. energy: -0.153
local terms energy: -90.997035
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -23.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -291.193207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.193207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.193207 (E_RNA)
where:
Base-Base interactions energy: -202.474
where: short stacking energy: -77.905
Base-Backbone interact. energy: -0.056
local terms energy: -88.663257
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -23.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -279.870358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.870358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.870358 (E_RNA)
where:
Base-Base interactions energy: -182.092
where: short stacking energy: -78.452
Base-Backbone interact. energy: -0.607
local terms energy: -97.171005
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -24.702
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: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -275.299519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.299519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.299519 (E_RNA)
where:
Base-Base interactions energy: -185.284
where: short stacking energy: -81.920
Base-Backbone interact. energy: -0.092
local terms energy: -89.923238
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -25.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -257.167348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.167348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.167348 (E_RNA)
where:
Base-Base interactions energy: -174.359
where: short stacking energy: -65.979
Base-Backbone interact. energy: 0.131
local terms energy: -82.939400
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -18.632
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: 458
Temperature: 1.150000
Total energy: -230.283860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.283860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.283860 (E_RNA)
where:
Base-Base interactions energy: -143.183
where: short stacking energy: -60.023
Base-Backbone interact. energy: -1.439
local terms energy: -85.662087
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -250.053370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.053370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.053370 (E_RNA)
where:
Base-Base interactions energy: -168.530
where: short stacking energy: -80.429
Base-Backbone interact. energy: -0.777
local terms energy: -80.746447
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -232.505626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.505626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.505626 (E_RNA)
where:
Base-Base interactions energy: -151.401
where: short stacking energy: -62.075
Base-Backbone interact. energy: -0.017
local terms energy: -81.087566
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -8.930
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: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -184.189756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.189756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.189756 (E_RNA)
where:
Base-Base interactions energy: -126.751
where: short stacking energy: -47.605
Base-Backbone interact. energy: -0.111
local terms energy: -57.327265
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -87.653242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.653242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.653242 (E_RNA)
where:
Base-Base interactions energy: -40.734
where: short stacking energy: -32.564
Base-Backbone interact. energy: -0.371
local terms energy: -46.548033
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: 2.846
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: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -289.238891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.238891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.238891 (E_RNA)
where:
Base-Base interactions energy: -195.744
where: short stacking energy: -85.984
Base-Backbone interact. energy: -0.059
local terms energy: -93.435333
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -281.812417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.812417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.812417 (E_RNA)
where:
Base-Base interactions energy: -182.727
where: short stacking energy: -89.332
Base-Backbone interact. energy: -0.596
local terms energy: -98.489333
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -280.217792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.217792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.217792 (E_RNA)
where:
Base-Base interactions energy: -190.161
where: short stacking energy: -78.967
Base-Backbone interact. energy: -0.910
local terms energy: -89.147220
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -23.743
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -271.396159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.396159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.396159 (E_RNA)
where:
Base-Base interactions energy: -183.684
where: short stacking energy: -79.912
Base-Backbone interact. energy: -0.004
local terms energy: -87.707786
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -264.806474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.806474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.806474 (E_RNA)
where:
Base-Base interactions energy: -184.733
where: short stacking energy: -76.143
Base-Backbone interact. energy: -0.047
local terms energy: -80.026778
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -240.747791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.747791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.747791 (E_RNA)
where:
Base-Base interactions energy: -159.323
where: short stacking energy: -73.023
Base-Backbone interact. energy: -0.198
local terms energy: -81.226261
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -228.708902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.708902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.708902 (E_RNA)
where:
Base-Base interactions energy: -154.724
where: short stacking energy: -65.866
Base-Backbone interact. energy: -0.171
local terms energy: -73.812991
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -15.570
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: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -242.379412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.379412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.379412 (E_RNA)
where:
Base-Base interactions energy: -160.474
where: short stacking energy: -70.622
Base-Backbone interact. energy: -1.012
local terms energy: -80.892758
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -180.800692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.800692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.800692 (E_RNA)
where:
Base-Base interactions energy: -113.239
where: short stacking energy: -50.789
Base-Backbone interact. energy: -0.191
local terms energy: -67.371040
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -86.532211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.532211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.532211 (E_RNA)
where:
Base-Base interactions energy: -37.702
where: short stacking energy: -36.859
Base-Backbone interact. energy: 0.024
local terms energy: -48.854326
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -294.757024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.757024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.757024 (E_RNA)
where:
Base-Base interactions energy: -200.427
where: short stacking energy: -82.834
Base-Backbone interact. energy: -0.660
local terms energy: -93.670184
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -27.885
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: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -283.902362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.902362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.902362 (E_RNA)
where:
Base-Base interactions energy: -189.038
where: short stacking energy: -84.332
Base-Backbone interact. energy: -0.063
local terms energy: -94.801157
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -25.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -271.906560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.906560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.906560 (E_RNA)
where:
Base-Base interactions energy: -183.170
where: short stacking energy: -80.123
Base-Backbone interact. energy: -0.011
local terms energy: -88.725103
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -291.613628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.613628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.613628 (E_RNA)
where:
Base-Base interactions energy: -193.224
where: short stacking energy: -82.885
Base-Backbone interact. energy: -0.005
local terms energy: -98.384953
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -23.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -254.903152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.903152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.903152 (E_RNA)
where:
Base-Base interactions energy: -167.314
where: short stacking energy: -80.570
Base-Backbone interact. energy: -0.102
local terms energy: -87.487444
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -236.660289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.660289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.660289 (E_RNA)
where:
Base-Base interactions energy: -154.307
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.096
local terms energy: -82.256946
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -224.057379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.057379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057379 (E_RNA)
where:
Base-Base interactions energy: -150.839
where: short stacking energy: -62.859
Base-Backbone interact. energy: -0.037
local terms energy: -73.181441
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -254.858247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.858247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.858247 (E_RNA)
where:
Base-Base interactions energy: -168.684
where: short stacking energy: -79.537
Base-Backbone interact. energy: -0.065
local terms energy: -86.108797
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -21.492
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: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -153.598830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.598830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.598830 (E_RNA)
where:
Base-Base interactions energy: -93.671
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.095
local terms energy: -59.832228
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -2.613
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -92.310898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.310898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.310898 (E_RNA)
where:
Base-Base interactions energy: -40.535
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.024
local terms energy: -51.752131
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -5.047
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: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -291.260306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.260306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.260306 (E_RNA)
where:
Base-Base interactions energy: -197.447
where: short stacking energy: -83.203
Base-Backbone interact. energy: -0.131
local terms energy: -93.681959
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -24.708
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: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -270.567627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.567627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.567627 (E_RNA)
where:
Base-Base interactions energy: -189.986
where: short stacking energy: -86.187
Base-Backbone interact. energy: -0.108
local terms energy: -80.474322
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -279.715834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.715834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.715834 (E_RNA)
where:
Base-Base interactions energy: -184.709
where: short stacking energy: -80.885
Base-Backbone interact. energy: -0.094
local terms energy: -94.913248
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -28.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -276.734972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.734972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.734972 (E_RNA)
where:
Base-Base interactions energy: -195.228
where: short stacking energy: -82.625
Base-Backbone interact. energy: 1.107
local terms energy: -82.613875
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -25.799
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: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -252.179383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.179383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.179383 (E_RNA)
where:
Base-Base interactions energy: -180.314
where: short stacking energy: -78.197
Base-Backbone interact. energy: -0.526
local terms energy: -71.339929
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -18.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -244.200264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.200264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.200264 (E_RNA)
where:
Base-Base interactions energy: -171.730
where: short stacking energy: -70.343
Base-Backbone interact. energy: -0.713
local terms energy: -71.757704
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -236.754813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.754813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.754813 (E_RNA)
where:
Base-Base interactions energy: -150.456
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.026
local terms energy: -86.273713
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -221.669448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.669448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.669448 (E_RNA)
where:
Base-Base interactions energy: -141.563
where: short stacking energy: -67.964
Base-Backbone interact. energy: -0.129
local terms energy: -79.977255
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -89.237926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.237926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.237926 (E_RNA)
where:
Base-Base interactions energy: -31.885
where: short stacking energy: -28.577
Base-Backbone interact. energy: -1.523
local terms energy: -55.829667
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -95.514576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.514576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.514576 (E_RNA)
where:
Base-Base interactions energy: -30.702
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.104
local terms energy: -64.708700
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -0.308
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: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -291.290266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.290266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.290266 (E_RNA)
where:
Base-Base interactions energy: -196.256
where: short stacking energy: -85.896
Base-Backbone interact. energy: 0.915
local terms energy: -95.950205
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -23.069
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: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -287.183770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.183770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.183770 (E_RNA)
where:
Base-Base interactions energy: -200.871
where: short stacking energy: -89.354
Base-Backbone interact. energy: -0.024
local terms energy: -86.289075
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -28.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -298.130679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.130679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.130679 (E_RNA)
where:
Base-Base interactions energy: -213.119
where: short stacking energy: -87.362
Base-Backbone interact. energy: -0.016
local terms energy: -84.995157
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -272.867615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.867615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.867615 (E_RNA)
where:
Base-Base interactions energy: -181.749
where: short stacking energy: -82.191
Base-Backbone interact. energy: 0.396
local terms energy: -91.514049
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -28.509
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: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -267.271904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.271904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.271904 (E_RNA)
where:
Base-Base interactions energy: -177.582
where: short stacking energy: -72.200
Base-Backbone interact. energy: -0.152
local terms energy: -89.537494
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -261.335788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.335788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.335788 (E_RNA)
where:
Base-Base interactions energy: -168.845
where: short stacking energy: -83.363
Base-Backbone interact. energy: -0.009
local terms energy: -92.481980
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -27.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -235.052514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.052514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.052514 (E_RNA)
where:
Base-Base interactions energy: -156.165
where: short stacking energy: -70.859
Base-Backbone interact. energy: -1.209
local terms energy: -77.678341
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -217.751478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.751478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.751478 (E_RNA)
where:
Base-Base interactions energy: -143.719
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.818
local terms energy: -73.214920
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -93.327040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.327040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.327040 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -30.467
Base-Backbone interact. energy: 2.178
local terms energy: -60.207001
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -85.297034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.297034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.297034 (E_RNA)
where:
Base-Base interactions energy: -18.113
where: short stacking energy: -18.113
Base-Backbone interact. energy: 0.242
local terms energy: -67.426229
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -3.759
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: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -290.321051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.321051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.321051 (E_RNA)
where:
Base-Base interactions energy: -195.215
where: short stacking energy: -87.613
Base-Backbone interact. energy: -0.153
local terms energy: -94.953665
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -285.108598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.108598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.108598 (E_RNA)
where:
Base-Base interactions energy: -192.977
where: short stacking energy: -88.468
Base-Backbone interact. energy: -0.134
local terms energy: -91.998401
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -27.692
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: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -271.589981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.589981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.589981 (E_RNA)
where:
Base-Base interactions energy: -180.347
where: short stacking energy: -83.984
Base-Backbone interact. energy: -0.011
local terms energy: -91.232370
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -19.860
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -20.391
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: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -280.191516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.191516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.191516 (E_RNA)
where:
Base-Base interactions energy: -187.312
where: short stacking energy: -78.440
Base-Backbone interact. energy: -0.023
local terms energy: -92.855648
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -13.496
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: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -267.150440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.150440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.150440 (E_RNA)
where:
Base-Base interactions energy: -185.346
where: short stacking energy: -73.055
Base-Backbone interact. energy: -0.036
local terms energy: -81.768656
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -238.810604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.810604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.810604 (E_RNA)
where:
Base-Base interactions energy: -151.355
where: short stacking energy: -65.935
Base-Backbone interact. energy: -0.585
local terms energy: -86.870622
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -18.487
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: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -253.422454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.422454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.422454 (E_RNA)
where:
Base-Base interactions energy: -167.947
where: short stacking energy: -76.913
Base-Backbone interact. energy: -0.110
local terms energy: -85.365217
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -235.379729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.379729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.379729 (E_RNA)
where:
Base-Base interactions energy: -162.428
where: short stacking energy: -67.631
Base-Backbone interact. energy: -0.450
local terms energy: -72.501072
where:
bonds (distance) C4'-P energy: -7.852
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -18.403
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: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -101.104836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.104836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.104836 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -32.832
Base-Backbone interact. energy: -0.663
local terms energy: -63.214559
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -90.197351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.197351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.197351 (E_RNA)
where:
Base-Base interactions energy: -41.636
where: short stacking energy: -25.077
Base-Backbone interact. energy: -0.450
local terms energy: -48.112074
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: 6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -290.997712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.997712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.997712 (E_RNA)
where:
Base-Base interactions energy: -200.110
where: short stacking energy: -90.061
Base-Backbone interact. energy: -0.019
local terms energy: -90.868126
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -24.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -288.230550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.230550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.230550 (E_RNA)
where:
Base-Base interactions energy: -189.916
where: short stacking energy: -85.968
Base-Backbone interact. energy: -0.434
local terms energy: -97.880243
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -15.115
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: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -284.402228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.402228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.402228 (E_RNA)
where:
Base-Base interactions energy: -195.068
where: short stacking energy: -84.081
Base-Backbone interact. energy: -0.837
local terms energy: -88.496602
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -24.442
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: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -271.410058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.410058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.410058 (E_RNA)
where:
Base-Base interactions energy: -182.395
where: short stacking energy: -73.866
Base-Backbone interact. energy: -0.122
local terms energy: -88.893143
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -266.380006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.380006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.380006 (E_RNA)
where:
Base-Base interactions energy: -172.475
where: short stacking energy: -82.163
Base-Backbone interact. energy: -0.534
local terms energy: -93.371450
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -240.302617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.302617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.302617 (E_RNA)
where:
Base-Base interactions energy: -154.252
where: short stacking energy: -78.871
Base-Backbone interact. energy: -0.025
local terms energy: -86.025257
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -240.488397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.488397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.488397 (E_RNA)
where:
Base-Base interactions energy: -160.468
where: short stacking energy: -73.184
Base-Backbone interact. energy: -0.454
local terms energy: -79.565847
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -242.933296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.933296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.933296 (E_RNA)
where:
Base-Base interactions energy: -160.606
where: short stacking energy: -73.313
Base-Backbone interact. energy: -0.010
local terms energy: -82.317210
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -24.484
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: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -92.364148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.364148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.364148 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -22.087
Base-Backbone interact. energy: -1.046
local terms energy: -61.437845
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: 0.407
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: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -85.111189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.111189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.111189 (E_RNA)
where:
Base-Base interactions energy: -31.107
where: short stacking energy: -27.846
Base-Backbone interact. energy: -0.015
local terms energy: -53.989266
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: 2.948
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: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -288.966336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.966336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.966336 (E_RNA)
where:
Base-Base interactions energy: -193.507
where: short stacking energy: -88.790
Base-Backbone interact. energy: -0.010
local terms energy: -95.448793
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -28.097
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: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -284.297991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.297991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.297991 (E_RNA)
where:
Base-Base interactions energy: -197.232
where: short stacking energy: -87.383
Base-Backbone interact. energy: -0.175
local terms energy: -86.890724
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -8.770
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: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -287.745439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.745439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.745439 (E_RNA)
where:
Base-Base interactions energy: -192.642
where: short stacking energy: -81.819
Base-Backbone interact. energy: -0.046
local terms energy: -95.057793
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -283.841665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.841665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.841665 (E_RNA)
where:
Base-Base interactions energy: -191.354
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.112
local terms energy: -92.376481
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -26.233
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: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -260.269122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.269122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.269122 (E_RNA)
where:
Base-Base interactions energy: -182.390
where: short stacking energy: -80.446
Base-Backbone interact. energy: -0.559
local terms energy: -77.320903
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -10.481
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: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -238.386912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.386912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.386912 (E_RNA)
where:
Base-Base interactions energy: -159.234
where: short stacking energy: -64.348
Base-Backbone interact. energy: -0.072
local terms energy: -79.080619
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -20.417
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: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -242.833453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.833453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.833453 (E_RNA)
where:
Base-Base interactions energy: -164.479
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.185
local terms energy: -78.169433
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -8.994
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: 8, replica: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -231.645059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.645059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.645059 (E_RNA)
where:
Base-Base interactions energy: -157.882
where: short stacking energy: -64.044
Base-Backbone interact. energy: -0.023
local terms energy: -73.740096
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -14.801
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: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -90.472008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.472008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.472008 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -20.855
Base-Backbone interact. energy: 3.674
local terms energy: -60.583429
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -2.974
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: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -80.183181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.183181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.183181 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -18.832
Base-Backbone interact. energy: -0.261
local terms energy: -46.857135
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -5.845
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: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -299.742253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.742253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.742253 (E_RNA)
where:
Base-Base interactions energy: -203.684
where: short stacking energy: -85.428
Base-Backbone interact. energy: -0.014
local terms energy: -96.044593
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -28.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -287.147911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.147911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.147911 (E_RNA)
where:
Base-Base interactions energy: -191.462
where: short stacking energy: -93.734
Base-Backbone interact. energy: -0.001
local terms energy: -95.684563
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -28.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -277.614319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.614319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.614319 (E_RNA)
where:
Base-Base interactions energy: -179.627
where: short stacking energy: -82.888
Base-Backbone interact. energy: -0.063
local terms energy: -97.924080
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -28.715
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: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -282.169445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.169445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.169445 (E_RNA)
where:
Base-Base interactions energy: -193.535
where: short stacking energy: -84.574
Base-Backbone interact. energy: -0.132
local terms energy: -88.503122
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -13.482
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: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -264.927395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.927395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.927395 (E_RNA)
where:
Base-Base interactions energy: -179.122
where: short stacking energy: -84.461
Base-Backbone interact. energy: -0.054
local terms energy: -85.751296
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -27.234
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: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -233.669641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.669641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.669641 (E_RNA)
where:
Base-Base interactions energy: -153.115
where: short stacking energy: -74.124
Base-Backbone interact. energy: -0.094
local terms energy: -80.460752
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -227.814833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.814833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.814833 (E_RNA)
where:
Base-Base interactions energy: -148.815
where: short stacking energy: -58.534
Base-Backbone interact. energy: -0.104
local terms energy: -78.895934
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -239.151367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.151367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.151367 (E_RNA)
where:
Base-Base interactions energy: -160.303
where: short stacking energy: -73.773
Base-Backbone interact. energy: -0.106
local terms energy: -78.742592
where:
bonds (distance) C4'-P energy: -6.007
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -94.915171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.915171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.915171 (E_RNA)
where:
Base-Base interactions energy: -43.110
where: short stacking energy: -24.329
Base-Backbone interact. energy: -0.593
local terms energy: -51.212217
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -99.684511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.684511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.684511 (E_RNA)
where:
Base-Base interactions energy: -41.348
where: short stacking energy: -25.471
Base-Backbone interact. energy: -0.916
local terms energy: -57.420030
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -5.098
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: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -285.253746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.253746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.253746 (E_RNA)
where:
Base-Base interactions energy: -193.129
where: short stacking energy: -86.607
Base-Backbone interact. energy: 0.808
local terms energy: -92.932994
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -26.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -283.814339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.814339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.814339 (E_RNA)
where:
Base-Base interactions energy: -192.895
where: short stacking energy: -78.801
Base-Backbone interact. energy: -0.031
local terms energy: -90.888060
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -22.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -285.094863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.094863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.094863 (E_RNA)
where:
Base-Base interactions energy: -195.906
where: short stacking energy: -85.828
Base-Backbone interact. energy: -0.002
local terms energy: -89.187297
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -19.215
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -23.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -279.509493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.509493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.509493 (E_RNA)
where:
Base-Base interactions energy: -191.998
where: short stacking energy: -79.582
Base-Backbone interact. energy: -0.081
local terms energy: -87.431080
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -23.778
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: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -271.472459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.472459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.472459 (E_RNA)
where:
Base-Base interactions energy: -182.315
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.142
local terms energy: -89.015302
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -250.479718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.479718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.479718 (E_RNA)
where:
Base-Base interactions energy: -164.025
where: short stacking energy: -73.435
Base-Backbone interact. energy: -0.167
local terms energy: -86.287454
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -242.760136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.760136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.760136 (E_RNA)
where:
Base-Base interactions energy: -162.213
where: short stacking energy: -73.793
Base-Backbone interact. energy: -0.090
local terms energy: -80.457118
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -242.595448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.595448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.595448 (E_RNA)
where:
Base-Base interactions energy: -164.351
where: short stacking energy: -71.462
Base-Backbone interact. energy: -0.639
local terms energy: -77.604969
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -103.757206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.757206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.757206 (E_RNA)
where:
Base-Base interactions energy: -47.430
where: short stacking energy: -44.348
Base-Backbone interact. energy: 0.660
local terms energy: -56.986831
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -101.913793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.913793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.913793 (E_RNA)
where:
Base-Base interactions energy: -44.547
where: short stacking energy: -44.547
Base-Backbone interact. energy: 0.419
local terms energy: -57.786282
where:
bonds (distance) C4'-P energy: -7.066
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -8.460
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -285.953381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.953381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.953381 (E_RNA)
where:
Base-Base interactions energy: -196.323
where: short stacking energy: -78.389
Base-Backbone interact. energy: -0.101
local terms energy: -89.530163
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -24.311
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: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -278.194921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.194921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.194921 (E_RNA)
where:
Base-Base interactions energy: -191.647
where: short stacking energy: -79.823
Base-Backbone interact. energy: -0.277
local terms energy: -86.271407
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -279.932171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.932171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.932171 (E_RNA)
where:
Base-Base interactions energy: -179.950
where: short stacking energy: -83.797
Base-Backbone interact. energy: -1.318
local terms energy: -98.663790
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -269.413616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.413616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.413616 (E_RNA)
where:
Base-Base interactions energy: -181.491
where: short stacking energy: -81.222
Base-Backbone interact. energy: -0.355
local terms energy: -87.567095
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -9.874
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: 468
Temperature: 1.100000
Total energy: -265.642471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.642471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.642471 (E_RNA)
where:
Base-Base interactions energy: -178.035
where: short stacking energy: -71.160
Base-Backbone interact. energy: -0.680
local terms energy: -86.927312
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -263.019869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.019869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.019869 (E_RNA)
where:
Base-Base interactions energy: -190.818
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.091
local terms energy: -72.111222
where:
bonds (distance) C4'-P energy: -5.824
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -21.002
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: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -226.396127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.396127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.396127 (E_RNA)
where:
Base-Base interactions energy: -147.510
where: short stacking energy: -52.491
Base-Backbone interact. energy: -1.213
local terms energy: -77.672650
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -251.599897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.599897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.599897 (E_RNA)
where:
Base-Base interactions energy: -158.548
where: short stacking energy: -65.574
Base-Backbone interact. energy: -0.006
local terms energy: -93.046316
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -20.524
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: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -88.834686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.834686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.834686 (E_RNA)
where:
Base-Base interactions energy: -33.009
where: short stacking energy: -25.092
Base-Backbone interact. energy: -0.646
local terms energy: -55.180060
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -0.508
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: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -86.137421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.137421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.137421 (E_RNA)
where:
Base-Base interactions energy: -29.625
where: short stacking energy: -26.007
Base-Backbone interact. energy: 1.423
local terms energy: -57.935626
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: 4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -296.209983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.209983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.209983 (E_RNA)
where:
Base-Base interactions energy: -198.651
where: short stacking energy: -81.248
Base-Backbone interact. energy: -0.296
local terms energy: -97.262741
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -280.298443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.298443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.298443 (E_RNA)
where:
Base-Base interactions energy: -184.621
where: short stacking energy: -80.916
Base-Backbone interact. energy: -0.082
local terms energy: -95.594727
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -286.348691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.348691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.348691 (E_RNA)
where:
Base-Base interactions energy: -184.098
where: short stacking energy: -87.513
Base-Backbone interact. energy: -0.009
local terms energy: -102.242175
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -25.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -264.146949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.146949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.146949 (E_RNA)
where:
Base-Base interactions energy: -174.005
where: short stacking energy: -79.399
Base-Backbone interact. energy: -0.001
local terms energy: -90.141632
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -249.075717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.075717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.075717 (E_RNA)
where:
Base-Base interactions energy: -163.346
where: short stacking energy: -67.393
Base-Backbone interact. energy: -0.161
local terms energy: -85.568678
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -243.466934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.466934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.466934 (E_RNA)
where:
Base-Base interactions energy: -168.232
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.114
local terms energy: -75.120350
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -241.427576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.427576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.427576 (E_RNA)
where:
Base-Base interactions energy: -150.917
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.068
local terms energy: -90.442092
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -232.251018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.251018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.251018 (E_RNA)
where:
Base-Base interactions energy: -152.492
where: short stacking energy: -65.872
Base-Backbone interact. energy: -0.148
local terms energy: -79.611001
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -108.641355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.641355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.641355 (E_RNA)
where:
Base-Base interactions energy: -47.052
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.239
local terms energy: -61.350361
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -87.284992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.284992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.284992 (E_RNA)
where:
Base-Base interactions energy: -28.375
where: short stacking energy: -26.012
Base-Backbone interact. energy: -1.307
local terms energy: -57.602895
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -294.304188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.304188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.304188 (E_RNA)
where:
Base-Base interactions energy: -199.632
where: short stacking energy: -78.862
Base-Backbone interact. energy: -0.053
local terms energy: -94.618696
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -25.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -295.156411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.156411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.156411 (E_RNA)
where:
Base-Base interactions energy: -202.424
where: short stacking energy: -87.945
Base-Backbone interact. energy: -0.689
local terms energy: -92.043398
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -25.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -276.162793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.162793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.162793 (E_RNA)
where:
Base-Base interactions energy: -188.242
where: short stacking energy: -76.456
Base-Backbone interact. energy: -0.613
local terms energy: -87.307738
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -20.786
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: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -276.537677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.537677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.537677 (E_RNA)
where:
Base-Base interactions energy: -188.888
where: short stacking energy: -86.323
Base-Backbone interact. energy: -0.132
local terms energy: -87.517877
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -12.786
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: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -241.501305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.501305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.501305 (E_RNA)
where:
Base-Base interactions energy: -162.226
where: short stacking energy: -65.494
Base-Backbone interact. energy: -0.111
local terms energy: -79.164601
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -242.748333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.748333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.748333 (E_RNA)
where:
Base-Base interactions energy: -157.826
where: short stacking energy: -70.252
Base-Backbone interact. energy: 1.188
local terms energy: -86.109840
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -16.695
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: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -231.077630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.077630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.077630 (E_RNA)
where:
Base-Base interactions energy: -149.484
where: short stacking energy: -71.896
Base-Backbone interact. energy: 1.127
local terms energy: -82.719903
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -18.748
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: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -230.199337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.199337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.199337 (E_RNA)
where:
Base-Base interactions energy: -141.412
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.281
local terms energy: -88.506803
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -19.714
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: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -98.083495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.083495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.083495 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -30.921
Base-Backbone interact. energy: 1.240
local terms energy: -61.142593
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -95.784420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.784420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.784420 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -35.585
Base-Backbone interact. energy: -0.133
local terms energy: -57.516613
where:
bonds (distance) C4'-P energy: -7.381
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -296.986490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.986490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.986490 (E_RNA)
where:
Base-Base interactions energy: -199.193
where: short stacking energy: -86.179
Base-Backbone interact. energy: -0.533
local terms energy: -97.260566
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -24.861
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: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -282.986000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.986000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.986000 (E_RNA)
where:
Base-Base interactions energy: -189.182
where: short stacking energy: -86.617
Base-Backbone interact. energy: -0.008
local terms energy: -93.795721
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -24.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -289.346011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.346011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.346011 (E_RNA)
where:
Base-Base interactions energy: -197.338
where: short stacking energy: -79.974
Base-Backbone interact. energy: -0.264
local terms energy: -91.744248
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -281.194334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.194334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.194334 (E_RNA)
where:
Base-Base interactions energy: -188.808
where: short stacking energy: -88.578
Base-Backbone interact. energy: -0.133
local terms energy: -92.253143
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -266.480335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.480335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.480335 (E_RNA)
where:
Base-Base interactions energy: -182.650
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.169
local terms energy: -83.661022
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -23.786
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: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -249.509439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.509439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.509439 (E_RNA)
where:
Base-Base interactions energy: -169.154
where: short stacking energy: -76.974
Base-Backbone interact. energy: -0.209
local terms energy: -80.145944
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -229.054266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.054266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.054266 (E_RNA)
where:
Base-Base interactions energy: -154.426
where: short stacking energy: -64.271
Base-Backbone interact. energy: -0.284
local terms energy: -74.344656
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -223.801599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.801599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.801599 (E_RNA)
where:
Base-Base interactions energy: -148.370
where: short stacking energy: -62.808
Base-Backbone interact. energy: 0.392
local terms energy: -75.822835
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -93.209586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209586 (E_RNA)
where:
Base-Base interactions energy: -32.295
where: short stacking energy: -16.117
Base-Backbone interact. energy: -0.360
local terms energy: -60.554555
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: 0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -84.857534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.857534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.857534 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -25.963
Base-Backbone interact. energy: -0.499
local terms energy: -54.181191
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -0.188
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: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -294.321497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.321497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.321497 (E_RNA)
where:
Base-Base interactions energy: -196.069
where: short stacking energy: -88.143
Base-Backbone interact. energy: -0.003
local terms energy: -98.249488
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -28.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -296.585445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.585445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.585445 (E_RNA)
where:
Base-Base interactions energy: -197.778
where: short stacking energy: -86.198
Base-Backbone interact. energy: 0.977
local terms energy: -99.784553
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -14.319
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: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -280.896598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.896598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.896598 (E_RNA)
where:
Base-Base interactions energy: -186.803
where: short stacking energy: -92.730
Base-Backbone interact. energy: -0.911
local terms energy: -93.182311
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -258.007918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.007918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.007918 (E_RNA)
where:
Base-Base interactions energy: -167.498
where: short stacking energy: -78.078
Base-Backbone interact. energy: -0.039
local terms energy: -90.470861
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -275.384832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.384832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.384832 (E_RNA)
where:
Base-Base interactions energy: -194.623
where: short stacking energy: -78.701
Base-Backbone interact. energy: -0.060
local terms energy: -80.701445
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -240.666962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.666962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.666962 (E_RNA)
where:
Base-Base interactions energy: -152.929
where: short stacking energy: -67.531
Base-Backbone interact. energy: -0.136
local terms energy: -87.601670
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -227.283824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.283824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.283824 (E_RNA)
where:
Base-Base interactions energy: -158.762
where: short stacking energy: -66.931
Base-Backbone interact. energy: -0.138
local terms energy: -68.384519
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -240.992677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.992677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.992677 (E_RNA)
where:
Base-Base interactions energy: -161.155
where: short stacking energy: -76.908
Base-Backbone interact. energy: 0.606
local terms energy: -80.443952
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -106.752954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.752954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.752954 (E_RNA)
where:
Base-Base interactions energy: -58.811
where: short stacking energy: -35.957
Base-Backbone interact. energy: 1.670
local terms energy: -49.612550
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -0.296
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: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -92.960558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.960558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.960558 (E_RNA)
where:
Base-Base interactions energy: -36.147
where: short stacking energy: -23.924
Base-Backbone interact. energy: -0.056
local terms energy: -56.758085
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -3.074
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: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -287.585944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.585944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.585944 (E_RNA)
where:
Base-Base interactions energy: -192.292
where: short stacking energy: -80.581
Base-Backbone interact. energy: -0.598
local terms energy: -94.695679
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -289.004809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.004809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.004809 (E_RNA)
where:
Base-Base interactions energy: -190.175
where: short stacking energy: -80.930
Base-Backbone interact. energy: -0.650
local terms energy: -98.179998
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -24.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -288.283237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.283237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.283237 (E_RNA)
where:
Base-Base interactions energy: -195.600
where: short stacking energy: -85.543
Base-Backbone interact. energy: 1.510
local terms energy: -94.192594
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -24.391
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: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -285.425790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.425790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.425790 (E_RNA)
where:
Base-Base interactions energy: -200.098
where: short stacking energy: -83.336
Base-Backbone interact. energy: -0.153
local terms energy: -85.174692
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -278.111441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.111441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.111441 (E_RNA)
where:
Base-Base interactions energy: -190.115
where: short stacking energy: -79.962
Base-Backbone interact. energy: -0.204
local terms energy: -87.791920
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -258.837553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.837553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.837553 (E_RNA)
where:
Base-Base interactions energy: -168.647
where: short stacking energy: -77.844
Base-Backbone interact. energy: -0.008
local terms energy: -90.181994
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -256.705965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.705965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.705965 (E_RNA)
where:
Base-Base interactions energy: -169.022
where: short stacking energy: -63.280
Base-Backbone interact. energy: -1.087
local terms energy: -86.597395
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -16.828
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: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -226.828065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.828065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.828065 (E_RNA)
where:
Base-Base interactions energy: -146.940
where: short stacking energy: -60.998
Base-Backbone interact. energy: 1.248
local terms energy: -81.136412
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -102.676018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.676018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.676018 (E_RNA)
where:
Base-Base interactions energy: -53.066
where: short stacking energy: -30.497
Base-Backbone interact. energy: -0.383
local terms energy: -49.226630
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -83.537668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537668 (E_RNA)
where:
Base-Base interactions energy: -28.306
where: short stacking energy: -16.557
Base-Backbone interact. energy: -0.352
local terms energy: -54.880072
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: 0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -292.768353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.768353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.768353 (E_RNA)
where:
Base-Base interactions energy: -192.216
where: short stacking energy: -85.513
Base-Backbone interact. energy: -0.119
local terms energy: -100.433322
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -15.013
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: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -279.775075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.775075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.775075 (E_RNA)
where:
Base-Base interactions energy: -196.020
where: short stacking energy: -82.364
Base-Backbone interact. energy: -0.896
local terms energy: -82.859196
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -13.905
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: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -276.542688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.542688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.542688 (E_RNA)
where:
Base-Base interactions energy: -181.511
where: short stacking energy: -84.984
Base-Backbone interact. energy: -0.233
local terms energy: -94.798144
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -16.482
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: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -279.723520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.723520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.723520 (E_RNA)
where:
Base-Base interactions energy: -190.509
where: short stacking energy: -84.378
Base-Backbone interact. energy: 0.522
local terms energy: -89.736372
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -26.814
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: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -254.996322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.996322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.996322 (E_RNA)
where:
Base-Base interactions energy: -173.542
where: short stacking energy: -74.414
Base-Backbone interact. energy: 0.190
local terms energy: -81.643638
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -270.909108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.909108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.909108 (E_RNA)
where:
Base-Base interactions energy: -175.335
where: short stacking energy: -80.224
Base-Backbone interact. energy: -0.003
local terms energy: -95.571172
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -24.691
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: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -244.549979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.549979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.549979 (E_RNA)
where:
Base-Base interactions energy: -160.679
where: short stacking energy: -68.006
Base-Backbone interact. energy: -0.224
local terms energy: -83.647463
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -24.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -228.565751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.565751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.565751 (E_RNA)
where:
Base-Base interactions energy: -145.525
where: short stacking energy: -53.716
Base-Backbone interact. energy: -0.191
local terms energy: -82.849866
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -14.592
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: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -97.141059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.141059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.141059 (E_RNA)
where:
Base-Base interactions energy: -37.567
where: short stacking energy: -28.840
Base-Backbone interact. energy: -0.166
local terms energy: -59.407982
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -100.885656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.885656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.885656 (E_RNA)
where:
Base-Base interactions energy: -39.771
where: short stacking energy: -12.745
Base-Backbone interact. energy: 1.209
local terms energy: -62.323791
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -8.857
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: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -293.272887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.272887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.272887 (E_RNA)
where:
Base-Base interactions energy: -200.496
where: short stacking energy: -79.198
Base-Backbone interact. energy: -0.030
local terms energy: -92.747133
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -13.723
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: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -289.071599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.071599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.071599 (E_RNA)
where:
Base-Base interactions energy: -189.564
where: short stacking energy: -88.546
Base-Backbone interact. energy: -0.014
local terms energy: -99.493248
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -279.817660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.817660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.817660 (E_RNA)
where:
Base-Base interactions energy: -188.739
where: short stacking energy: -84.422
Base-Backbone interact. energy: -0.017
local terms energy: -91.061845
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -261.719618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.719618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.719618 (E_RNA)
where:
Base-Base interactions energy: -175.980
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.080
local terms energy: -85.659285
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -11.591
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: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -271.070140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.070140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.070140 (E_RNA)
where:
Base-Base interactions energy: -187.097
where: short stacking energy: -82.313
Base-Backbone interact. energy: -0.213
local terms energy: -83.760394
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -14.855
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: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -253.412965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.412965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.412965 (E_RNA)
where:
Base-Base interactions energy: -176.285
where: short stacking energy: -65.527
Base-Backbone interact. energy: -0.098
local terms energy: -77.029684
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -257.467150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.467150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.467150 (E_RNA)
where:
Base-Base interactions energy: -181.601
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.453
local terms energy: -75.413783
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -20.678
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: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -216.860882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.860882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.860882 (E_RNA)
where:
Base-Base interactions energy: -128.510
where: short stacking energy: -61.510
Base-Backbone interact. energy: -1.123
local terms energy: -87.228083
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -100.314172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.314172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.314172 (E_RNA)
where:
Base-Base interactions energy: -32.951
where: short stacking energy: -31.922
Base-Backbone interact. energy: -0.231
local terms energy: -67.132300
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -85.487692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.487692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.487692 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -21.914
Base-Backbone interact. energy: -0.324
local terms energy: -53.386188
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -3.099
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: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -293.075455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.075455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.075455 (E_RNA)
where:
Base-Base interactions energy: -201.436
where: short stacking energy: -85.750
Base-Backbone interact. energy: -0.086
local terms energy: -91.553162
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -22.025
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: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -288.176602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.176602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.176602 (E_RNA)
where:
Base-Base interactions energy: -195.894
where: short stacking energy: -84.601
Base-Backbone interact. energy: -0.118
local terms energy: -92.164864
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -24.742
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: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -280.863460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.863460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.863460 (E_RNA)
where:
Base-Base interactions energy: -183.798
where: short stacking energy: -79.140
Base-Backbone interact. energy: -0.037
local terms energy: -97.028577
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -24.568
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: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -247.119671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.119671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.119671 (E_RNA)
where:
Base-Base interactions energy: -159.003
where: short stacking energy: -74.838
Base-Backbone interact. energy: -0.204
local terms energy: -87.912983
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -19.717
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: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -265.219106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.219106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.219106 (E_RNA)
where:
Base-Base interactions energy: -176.954
where: short stacking energy: -86.358
Base-Backbone interact. energy: -0.012
local terms energy: -88.253737
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -26.632
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: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -265.093990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.093990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.093990 (E_RNA)
where:
Base-Base interactions energy: -176.164
where: short stacking energy: -72.753
Base-Backbone interact. energy: 0.590
local terms energy: -89.520720
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -17.900
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -253.907944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.907944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.907944 (E_RNA)
where:
Base-Base interactions energy: -167.047
where: short stacking energy: -78.005
Base-Backbone interact. energy: -0.743
local terms energy: -86.117859
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -258.399920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.399920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.399920 (E_RNA)
where:
Base-Base interactions energy: -171.472
where: short stacking energy: -76.444
Base-Backbone interact. energy: -0.101
local terms energy: -86.826941
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -23.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -88.405923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.405923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.405923 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -24.900
Base-Backbone interact. energy: -0.215
local terms energy: -57.050555
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -90.059001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.059001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.059001 (E_RNA)
where:
Base-Base interactions energy: -29.835
where: short stacking energy: -26.740
Base-Backbone interact. energy: 0.847
local terms energy: -61.071724
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -292.057648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.057648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.057648 (E_RNA)
where:
Base-Base interactions energy: -197.031
where: short stacking energy: -78.520
Base-Backbone interact. energy: -0.038
local terms energy: -94.989000
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -25.427
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: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -290.554640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.554640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.554640 (E_RNA)
where:
Base-Base interactions energy: -200.758
where: short stacking energy: -84.200
Base-Backbone interact. energy: -0.065
local terms energy: -89.731254
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -25.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -284.493169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.493169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.493169 (E_RNA)
where:
Base-Base interactions energy: -190.558
where: short stacking energy: -85.038
Base-Backbone interact. energy: -0.169
local terms energy: -93.766758
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -13.489
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: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -279.765709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.765709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.765709 (E_RNA)
where:
Base-Base interactions energy: -187.801
where: short stacking energy: -76.240
Base-Backbone interact. energy: -0.132
local terms energy: -91.832927
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -271.841840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.841840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.841840 (E_RNA)
where:
Base-Base interactions energy: -183.443
where: short stacking energy: -79.206
Base-Backbone interact. energy: -0.259
local terms energy: -88.139487
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -26.020
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: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -261.051947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.051947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.051947 (E_RNA)
where:
Base-Base interactions energy: -174.003
where: short stacking energy: -75.318
Base-Backbone interact. energy: -0.694
local terms energy: -86.355505
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -23.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -271.047758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.047758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.047758 (E_RNA)
where:
Base-Base interactions energy: -191.920
where: short stacking energy: -85.143
Base-Backbone interact. energy: -0.030
local terms energy: -79.097983
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -23.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -228.827810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.827810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.827810 (E_RNA)
where:
Base-Base interactions energy: -160.676
where: short stacking energy: -65.715
Base-Backbone interact. energy: -0.121
local terms energy: -68.030945
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -14.486
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: 477
Temperature: 1.300000
Total energy: -86.619799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.619799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.619799 (E_RNA)
where:
Base-Base interactions energy: -31.253
where: short stacking energy: -19.359
Base-Backbone interact. energy: -0.242
local terms energy: -55.124015
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: 2.251
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: 477
Temperature: 1.350000
Total energy: -103.059393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.059393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.059393 (E_RNA)
where:
Base-Base interactions energy: -41.826
where: short stacking energy: -25.399
Base-Backbone interact. energy: -0.094
local terms energy: -61.139779
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -297.534369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.534369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.534369 (E_RNA)
where:
Base-Base interactions energy: -209.332
where: short stacking energy: -83.417
Base-Backbone interact. energy: -0.075
local terms energy: -88.127204
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -27.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -293.867802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.867802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.867802 (E_RNA)
where:
Base-Base interactions energy: -195.244
where: short stacking energy: -79.098
Base-Backbone interact. energy: -1.021
local terms energy: -97.602991
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -24.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -283.446198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.446198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.446198 (E_RNA)
where:
Base-Base interactions energy: -190.761
where: short stacking energy: -89.291
Base-Backbone interact. energy: -1.500
local terms energy: -91.185099
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -13.579
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: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -253.683851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.683851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.683851 (E_RNA)
where:
Base-Base interactions energy: -175.913
where: short stacking energy: -82.069
Base-Backbone interact. energy: -0.333
local terms energy: -77.438061
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -23.054
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: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -268.004469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.004469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.004469 (E_RNA)
where:
Base-Base interactions energy: -176.835
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.452
local terms energy: -90.717562
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -246.831059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.831059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.831059 (E_RNA)
where:
Base-Base interactions energy: -164.643
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.101
local terms energy: -82.087138
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -264.258542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.258542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.258542 (E_RNA)
where:
Base-Base interactions energy: -178.954
where: short stacking energy: -82.387
Base-Backbone interact. energy: -0.215
local terms energy: -85.089513
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -214.147248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.147248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.147248 (E_RNA)
where:
Base-Base interactions energy: -126.924
where: short stacking energy: -59.997
Base-Backbone interact. energy: -1.858
local terms energy: -85.365491
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -98.426481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.426481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.426481 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -31.119
Base-Backbone interact. energy: -0.159
local terms energy: -57.681367
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -85.143049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.143049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.143049 (E_RNA)
where:
Base-Base interactions energy: -20.993
where: short stacking energy: -20.993
Base-Backbone interact. energy: -0.115
local terms energy: -64.034738
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: 4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -305.296626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.296626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.296626 (E_RNA)
where:
Base-Base interactions energy: -215.890
where: short stacking energy: -85.670
Base-Backbone interact. energy: -0.076
local terms energy: -89.330112
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -26.672
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: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -288.851328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.851328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.851328 (E_RNA)
where:
Base-Base interactions energy: -190.050
where: short stacking energy: -92.938
Base-Backbone interact. energy: -0.073
local terms energy: -98.727948
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -27.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -280.321620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.321620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.321620 (E_RNA)
where:
Base-Base interactions energy: -187.262
where: short stacking energy: -73.732
Base-Backbone interact. energy: -0.921
local terms energy: -92.138181
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -16.171
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: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -266.392544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.392544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.392544 (E_RNA)
where:
Base-Base interactions energy: -181.783
where: short stacking energy: -78.095
Base-Backbone interact. energy: -0.153
local terms energy: -84.455988
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -280.739757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.739757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.739757 (E_RNA)
where:
Base-Base interactions energy: -186.613
where: short stacking energy: -88.547
Base-Backbone interact. energy: -0.010
local terms energy: -94.116565
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -27.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -262.998129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.998129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.998129 (E_RNA)
where:
Base-Base interactions energy: -174.827
where: short stacking energy: -75.885
Base-Backbone interact. energy: -0.294
local terms energy: -87.876940
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -238.117066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.117066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.117066 (E_RNA)
where:
Base-Base interactions energy: -159.125
where: short stacking energy: -72.215
Base-Backbone interact. energy: -0.144
local terms energy: -78.848245
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -241.415966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.415966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.415966 (E_RNA)
where:
Base-Base interactions energy: -155.970
where: short stacking energy: -68.176
Base-Backbone interact. energy: -0.314
local terms energy: -85.132432
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -20.588
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: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -113.239700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.239700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.239700 (E_RNA)
where:
Base-Base interactions energy: -40.475
where: short stacking energy: -40.475
Base-Backbone interact. energy: -0.176
local terms energy: -72.588876
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -84.762284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.762284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.762284 (E_RNA)
where:
Base-Base interactions energy: -21.501
where: short stacking energy: -21.501
Base-Backbone interact. energy: -0.195
local terms energy: -63.066132
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -288.747646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.747646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.747646 (E_RNA)
where:
Base-Base interactions energy: -188.577
where: short stacking energy: -88.551
Base-Backbone interact. energy: -0.071
local terms energy: -100.099121
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -13.115
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: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -299.842989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.842989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.842989 (E_RNA)
where:
Base-Base interactions energy: -208.065
where: short stacking energy: -86.275
Base-Backbone interact. energy: -0.109
local terms energy: -91.669047
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -260.202914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.202914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.202914 (E_RNA)
where:
Base-Base interactions energy: -171.922
where: short stacking energy: -83.620
Base-Backbone interact. energy: 0.777
local terms energy: -89.057539
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -285.034410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.034410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.034410 (E_RNA)
where:
Base-Base interactions energy: -185.028
where: short stacking energy: -90.895
Base-Backbone interact. energy: -0.168
local terms energy: -99.837894
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -27.298
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: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -279.204506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.204506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.204506 (E_RNA)
where:
Base-Base interactions energy: -188.154
where: short stacking energy: -82.974
Base-Backbone interact. energy: -0.002
local terms energy: -91.047699
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -25.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -235.589674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.589674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.589674 (E_RNA)
where:
Base-Base interactions energy: -160.134
where: short stacking energy: -60.952
Base-Backbone interact. energy: -0.112
local terms energy: -75.343258
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -13.790
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: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -252.718365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.718365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.718365 (E_RNA)
where:
Base-Base interactions energy: -174.060
where: short stacking energy: -70.160
Base-Backbone interact. energy: -0.046
local terms energy: -78.612781
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -19.719
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: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -215.142962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.142962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.142962 (E_RNA)
where:
Base-Base interactions energy: -141.398
where: short stacking energy: -57.212
Base-Backbone interact. energy: -0.499
local terms energy: -73.246102
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -95.096769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.096769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.096769 (E_RNA)
where:
Base-Base interactions energy: -33.059
where: short stacking energy: -30.562
Base-Backbone interact. energy: 1.297
local terms energy: -63.334631
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -10.129
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: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -88.855560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.855560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.855560 (E_RNA)
where:
Base-Base interactions energy: -33.413
where: short stacking energy: -24.823
Base-Backbone interact. energy: 0.472
local terms energy: -55.915189
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -291.663832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.663832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.663832 (E_RNA)
where:
Base-Base interactions energy: -190.328
where: short stacking energy: -79.280
Base-Backbone interact. energy: -0.500
local terms energy: -100.835012
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -25.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -290.083689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.083689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.083689 (E_RNA)
where:
Base-Base interactions energy: -195.537
where: short stacking energy: -88.944
Base-Backbone interact. energy: -0.002
local terms energy: -94.544890
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -277.780256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.780256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.780256 (E_RNA)
where:
Base-Base interactions energy: -186.351
where: short stacking energy: -80.148
Base-Backbone interact. energy: -0.176
local terms energy: -91.253317
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -265.560481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.560481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.560481 (E_RNA)
where:
Base-Base interactions energy: -170.047
where: short stacking energy: -80.414
Base-Backbone interact. energy: -0.740
local terms energy: -94.773660
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -22.316
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: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -271.605608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.605608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.605608 (E_RNA)
where:
Base-Base interactions energy: -171.799
where: short stacking energy: -81.972
Base-Backbone interact. energy: -0.014
local terms energy: -99.792501
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -16.757
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: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -266.756971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.756971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.756971 (E_RNA)
where:
Base-Base interactions energy: -178.908
where: short stacking energy: -74.627
Base-Backbone interact. energy: 1.869
local terms energy: -89.718103
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -24.569
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: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -240.031590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.031590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.031590 (E_RNA)
where:
Base-Base interactions energy: -165.245
where: short stacking energy: -58.662
Base-Backbone interact. energy: -0.141
local terms energy: -74.644791
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -226.449225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.449225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.449225 (E_RNA)
where:
Base-Base interactions energy: -152.108
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.103
local terms energy: -74.238910
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -86.853943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.853943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.853943 (E_RNA)
where:
Base-Base interactions energy: -28.766
where: short stacking energy: -18.607
Base-Backbone interact. energy: -0.854
local terms energy: -57.233397
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: 0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -89.525137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.525137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.525137 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -25.008
Base-Backbone interact. energy: 1.529
local terms energy: -58.764011
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -12.629
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: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -285.435542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.435542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.435542 (E_RNA)
where:
Base-Base interactions energy: -191.455
where: short stacking energy: -88.447
Base-Backbone interact. energy: -0.051
local terms energy: -93.929530
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -12.723
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: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -292.505998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.505998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.505998 (E_RNA)
where:
Base-Base interactions energy: -193.633
where: short stacking energy: -80.432
Base-Backbone interact. energy: -0.199
local terms energy: -98.674532
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -289.762953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.762953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.762953 (E_RNA)
where:
Base-Base interactions energy: -194.842
where: short stacking energy: -80.122
Base-Backbone interact. energy: -0.062
local terms energy: -94.859443
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -22.127
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: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -271.660404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.660404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.660404 (E_RNA)
where:
Base-Base interactions energy: -191.806
where: short stacking energy: -76.629
Base-Backbone interact. energy: -0.431
local terms energy: -79.423068
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -274.107539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.107539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.107539 (E_RNA)
where:
Base-Base interactions energy: -182.251
where: short stacking energy: -76.505
Base-Backbone interact. energy: -0.029
local terms energy: -91.828152
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -14.379
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: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -240.566694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.566694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.566694 (E_RNA)
where:
Base-Base interactions energy: -164.742
where: short stacking energy: -65.941
Base-Backbone interact. energy: -0.844
local terms energy: -74.980062
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -18.242
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: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -239.989631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.989631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.989631 (E_RNA)
where:
Base-Base interactions energy: -161.218
where: short stacking energy: -74.033
Base-Backbone interact. energy: -0.104
local terms energy: -78.668232
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -222.440607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440607 (E_RNA)
where:
Base-Base interactions energy: -147.754
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.072
local terms energy: -74.615224
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -92.924396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.924396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.924396 (E_RNA)
where:
Base-Base interactions energy: -38.884
where: short stacking energy: -24.122
Base-Backbone interact. energy: -0.543
local terms energy: -53.498089
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -89.823668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.823668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.823668 (E_RNA)
where:
Base-Base interactions energy: -18.062
where: short stacking energy: -15.319
Base-Backbone interact. energy: -0.012
local terms energy: -71.750328
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -2.116
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: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -293.591604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.591604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.591604 (E_RNA)
where:
Base-Base interactions energy: -202.949
where: short stacking energy: -85.519
Base-Backbone interact. energy: -0.175
local terms energy: -90.467954
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -289.561846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.561846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.561846 (E_RNA)
where:
Base-Base interactions energy: -192.613
where: short stacking energy: -86.511
Base-Backbone interact. energy: -0.025
local terms energy: -96.923347
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -24.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -292.678966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.678966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.678966 (E_RNA)
where:
Base-Base interactions energy: -192.117
where: short stacking energy: -84.056
Base-Backbone interact. energy: -0.093
local terms energy: -100.468716
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -266.808975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.808975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.808975 (E_RNA)
where:
Base-Base interactions energy: -178.995
where: short stacking energy: -83.807
Base-Backbone interact. energy: -0.002
local terms energy: -87.812450
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -251.466208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.466208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.466208 (E_RNA)
where:
Base-Base interactions energy: -162.927
where: short stacking energy: -70.884
Base-Backbone interact. energy: -0.212
local terms energy: -88.327502
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -22.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -242.310337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.310337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.310337 (E_RNA)
where:
Base-Base interactions energy: -155.792
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.721
local terms energy: -85.796962
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -240.785891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.785891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.785891 (E_RNA)
where:
Base-Base interactions energy: -162.947
where: short stacking energy: -73.952
Base-Backbone interact. energy: -0.001
local terms energy: -77.837646
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -7.091
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -212.129318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.129318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.129318 (E_RNA)
where:
Base-Base interactions energy: -139.488
where: short stacking energy: -58.972
Base-Backbone interact. energy: -1.082
local terms energy: -71.559499
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -19.640
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: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -99.695874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.695874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.695874 (E_RNA)
where:
Base-Base interactions energy: -37.066
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.490
local terms energy: -62.140112
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -5.117
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: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -87.278506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.278506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.278506 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -27.602
Base-Backbone interact. energy: -0.555
local terms energy: -55.606304
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -5.066
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: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -297.094163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.094163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.094163 (E_RNA)
where:
Base-Base interactions energy: -200.471
where: short stacking energy: -78.803
Base-Backbone interact. energy: -1.530
local terms energy: -95.092929
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -24.310
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: 484
Temperature: 0.950000
Total energy: -281.658945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.658945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.658945 (E_RNA)
where:
Base-Base interactions energy: -188.733
where: short stacking energy: -74.500
Base-Backbone interact. energy: -0.585
local terms energy: -92.340521
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -24.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -282.414224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.414224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.414224 (E_RNA)
where:
Base-Base interactions energy: -185.033
where: short stacking energy: -81.405
Base-Backbone interact. energy: -0.003
local terms energy: -97.378559
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -27.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -283.503246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.503246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.503246 (E_RNA)
where:
Base-Base interactions energy: -189.396
where: short stacking energy: -87.888
Base-Backbone interact. energy: -0.022
local terms energy: -94.085211
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -29.543
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: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -242.127288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.127288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.127288 (E_RNA)
where:
Base-Base interactions energy: -152.173
where: short stacking energy: -64.463
Base-Backbone interact. energy: -0.246
local terms energy: -89.708155
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -20.216
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: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -234.033200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.033200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.033200 (E_RNA)
where:
Base-Base interactions energy: -154.141
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.066
local terms energy: -79.826586
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -236.241183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.241183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.241183 (E_RNA)
where:
Base-Base interactions energy: -154.471
where: short stacking energy: -71.555
Base-Backbone interact. energy: -0.110
local terms energy: -81.660560
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -21.587
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: 484
Temperature: 1.250000
Total energy: -222.865338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.865338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.865338 (E_RNA)
where:
Base-Base interactions energy: -148.523
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.183
local terms energy: -74.158586
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -89.199757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.199757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.199757 (E_RNA)
where:
Base-Base interactions energy: -30.863
where: short stacking energy: -21.927
Base-Backbone interact. energy: -0.062
local terms energy: -58.274809
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -97.881163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.881163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.881163 (E_RNA)
where:
Base-Base interactions energy: -35.154
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.230
local terms energy: -62.497575
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -2.475
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: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -303.605491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.605491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.605491 (E_RNA)
where:
Base-Base interactions energy: -206.132
where: short stacking energy: -88.860
Base-Backbone interact. energy: -0.132
local terms energy: -97.341389
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -27.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -294.099624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.099624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.099624 (E_RNA)
where:
Base-Base interactions energy: -199.826
where: short stacking energy: -83.299
Base-Backbone interact. energy: -0.001
local terms energy: -94.272908
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -10.784
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: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -275.087945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.087945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.087945 (E_RNA)
where:
Base-Base interactions energy: -175.547
where: short stacking energy: -76.928
Base-Backbone interact. energy: -0.001
local terms energy: -99.540018
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -24.144
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: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -278.905127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.905127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.905127 (E_RNA)
where:
Base-Base interactions energy: -190.613
where: short stacking energy: -81.821
Base-Backbone interact. energy: -0.138
local terms energy: -88.154117
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -23.599
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: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -236.880040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.880040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.880040 (E_RNA)
where:
Base-Base interactions energy: -153.980
where: short stacking energy: -66.621
Base-Backbone interact. energy: -0.479
local terms energy: -82.420264
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -230.621791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.621791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.621791 (E_RNA)
where:
Base-Base interactions energy: -155.378
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.243
local terms energy: -75.000977
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -240.459758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.459758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.459758 (E_RNA)
where:
Base-Base interactions energy: -160.327
where: short stacking energy: -69.920
Base-Backbone interact. energy: -0.107
local terms energy: -80.026304
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -252.910117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.910117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.910117 (E_RNA)
where:
Base-Base interactions energy: -173.911
where: short stacking energy: -76.514
Base-Backbone interact. energy: -0.014
local terms energy: -78.985599
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -23.504
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: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -90.559349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.559349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.559349 (E_RNA)
where:
Base-Base interactions energy: -27.406
where: short stacking energy: -22.305
Base-Backbone interact. energy: -0.110
local terms energy: -63.043215
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -81.592026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.592026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.592026 (E_RNA)
where:
Base-Base interactions energy: -21.055
where: short stacking energy: -15.066
Base-Backbone interact. energy: -1.012
local terms energy: -59.524748
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -289.834183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.834183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.834183 (E_RNA)
where:
Base-Base interactions energy: -194.512
where: short stacking energy: -93.965
Base-Backbone interact. energy: 0.510
local terms energy: -95.832497
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -27.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -288.079212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.079212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.079212 (E_RNA)
where:
Base-Base interactions energy: -194.562
where: short stacking energy: -81.545
Base-Backbone interact. energy: -0.013
local terms energy: -93.503633
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -282.222314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.222314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.222314 (E_RNA)
where:
Base-Base interactions energy: -182.992
where: short stacking energy: -82.161
Base-Backbone interact. energy: -0.063
local terms energy: -99.167093
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -249.506570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.506570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.506570 (E_RNA)
where:
Base-Base interactions energy: -164.404
where: short stacking energy: -70.849
Base-Backbone interact. energy: -0.104
local terms energy: -84.998613
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -260.315113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.315113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.315113 (E_RNA)
where:
Base-Base interactions energy: -185.471
where: short stacking energy: -65.177
Base-Backbone interact. energy: 0.829
local terms energy: -75.672458
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -15.984
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: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -241.436981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.436981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.436981 (E_RNA)
where:
Base-Base interactions energy: -168.454
where: short stacking energy: -66.905
Base-Backbone interact. energy: -0.002
local terms energy: -72.980803
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -261.671240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.671240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.671240 (E_RNA)
where:
Base-Base interactions energy: -171.892
where: short stacking energy: -85.957
Base-Backbone interact. energy: -0.070
local terms energy: -89.709814
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -15.641
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: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -232.977887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.977887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.977887 (E_RNA)
where:
Base-Base interactions energy: -153.469
where: short stacking energy: -65.934
Base-Backbone interact. energy: -1.066
local terms energy: -78.443087
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -92.728982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.728982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.728982 (E_RNA)
where:
Base-Base interactions energy: -30.435
where: short stacking energy: -28.792
Base-Backbone interact. energy: -0.151
local terms energy: -62.143044
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -85.900121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.900121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.900121 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -32.259
Base-Backbone interact. energy: -0.051
local terms energy: -52.416837
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: 3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -291.026229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.026229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.026229 (E_RNA)
where:
Base-Base interactions energy: -189.010
where: short stacking energy: -87.637
Base-Backbone interact. energy: -0.008
local terms energy: -102.008338
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -24.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -286.092414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.092414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.092414 (E_RNA)
where:
Base-Base interactions energy: -197.541
where: short stacking energy: -86.880
Base-Backbone interact. energy: -0.219
local terms energy: -88.331931
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -24.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -273.996474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.996474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.996474 (E_RNA)
where:
Base-Base interactions energy: -182.167
where: short stacking energy: -87.314
Base-Backbone interact. energy: -0.003
local terms energy: -91.826268
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -27.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -273.675913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.675913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.675913 (E_RNA)
where:
Base-Base interactions energy: -183.015
where: short stacking energy: -71.713
Base-Backbone interact. energy: -0.085
local terms energy: -90.575347
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -23.594
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: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -260.263407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.263407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.263407 (E_RNA)
where:
Base-Base interactions energy: -168.242
where: short stacking energy: -79.889
Base-Backbone interact. energy: -0.065
local terms energy: -91.956195
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -14.996
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: 6, replica: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -250.471712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.471712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.471712 (E_RNA)
where:
Base-Base interactions energy: -162.625
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.197
local terms energy: -87.649412
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -254.694605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.694605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.694605 (E_RNA)
where:
Base-Base interactions energy: -170.666
where: short stacking energy: -72.832
Base-Backbone interact. energy: -0.141
local terms energy: -83.887086
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -229.760310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.760310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.760310 (E_RNA)
where:
Base-Base interactions energy: -147.053
where: short stacking energy: -72.718
Base-Backbone interact. energy: 1.068
local terms energy: -83.774657
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -22.767
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: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -95.866849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866849 (E_RNA)
where:
Base-Base interactions energy: -43.060
where: short stacking energy: -21.865
Base-Backbone interact. energy: -0.379
local terms energy: -52.427961
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: 2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -86.053973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053973 (E_RNA)
where:
Base-Base interactions energy: -31.576
where: short stacking energy: -30.705
Base-Backbone interact. energy: -0.230
local terms energy: -54.247974
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -283.015224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.015224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.015224 (E_RNA)
where:
Base-Base interactions energy: -191.057
where: short stacking energy: -88.268
Base-Backbone interact. energy: -0.023
local terms energy: -91.935107
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -24.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -284.093698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.093698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.093698 (E_RNA)
where:
Base-Base interactions energy: -190.814
where: short stacking energy: -81.656
Base-Backbone interact. energy: -0.026
local terms energy: -93.252968
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -25.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -283.377642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.377642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.377642 (E_RNA)
where:
Base-Base interactions energy: -187.497
where: short stacking energy: -82.669
Base-Backbone interact. energy: -0.058
local terms energy: -95.822227
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -25.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -275.443986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.443986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.443986 (E_RNA)
where:
Base-Base interactions energy: -181.484
where: short stacking energy: -81.955
Base-Backbone interact. energy: -0.122
local terms energy: -93.837991
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -25.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -273.293608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.293608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.293608 (E_RNA)
where:
Base-Base interactions energy: -186.328
where: short stacking energy: -76.814
Base-Backbone interact. energy: 0.286
local terms energy: -87.251919
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -25.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -243.693180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.693180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.693180 (E_RNA)
where:
Base-Base interactions energy: -166.939
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.521
local terms energy: -76.232587
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -13.846
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: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -235.226889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.226889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.226889 (E_RNA)
where:
Base-Base interactions energy: -152.320
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.168
local terms energy: -82.738484
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -225.543166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.543166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.543166 (E_RNA)
where:
Base-Base interactions energy: -148.584
where: short stacking energy: -59.478
Base-Backbone interact. energy: 0.011
local terms energy: -76.969358
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -11.555
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: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -86.768155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.768155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.768155 (E_RNA)
where:
Base-Base interactions energy: -33.351
where: short stacking energy: -33.351
Base-Backbone interact. energy: -0.135
local terms energy: -53.282107
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -97.461686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.461686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.461686 (E_RNA)
where:
Base-Base interactions energy: -42.823
where: short stacking energy: -31.256
Base-Backbone interact. energy: -0.204
local terms energy: -54.434848
where:
bonds (distance) C4'-P energy: -9.219
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: 0.128
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: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -290.818517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.818517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.818517 (E_RNA)
where:
Base-Base interactions energy: -191.742
where: short stacking energy: -95.604
Base-Backbone interact. energy: -0.430
local terms energy: -98.647094
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -27.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -276.345597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.345597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.345597 (E_RNA)
where:
Base-Base interactions energy: -183.314
where: short stacking energy: -78.697
Base-Backbone interact. energy: -0.660
local terms energy: -92.371816
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -282.534978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.534978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.534978 (E_RNA)
where:
Base-Base interactions energy: -198.408
where: short stacking energy: -86.960
Base-Backbone interact. energy: -0.049
local terms energy: -84.078561
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -257.415836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.415836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.415836 (E_RNA)
where:
Base-Base interactions energy: -167.550
where: short stacking energy: -69.580
Base-Backbone interact. energy: 0.571
local terms energy: -90.436831
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -244.204797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.204797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.204797 (E_RNA)
where:
Base-Base interactions energy: -158.708
where: short stacking energy: -80.872
Base-Backbone interact. energy: -0.071
local terms energy: -85.426211
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -240.470687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.470687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.470687 (E_RNA)
where:
Base-Base interactions energy: -164.862
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.197
local terms energy: -75.411688
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -241.843791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.843791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.843791 (E_RNA)
where:
Base-Base interactions energy: -166.302
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.405
local terms energy: -75.137060
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -232.844852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.844852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.844852 (E_RNA)
where:
Base-Base interactions energy: -150.795
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.046
local terms energy: -82.004041
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -81.303737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.303737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.303737 (E_RNA)
where:
Base-Base interactions energy: -28.139
where: short stacking energy: -28.139
Base-Backbone interact. energy: -0.163
local terms energy: -53.001206
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -108.945927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.945927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.945927 (E_RNA)
where:
Base-Base interactions energy: -49.272
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.378
local terms energy: -59.295000
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -290.955302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.955302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.955302 (E_RNA)
where:
Base-Base interactions energy: -183.458
where: short stacking energy: -94.615
Base-Backbone interact. energy: -2.599
local terms energy: -104.898177
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -30.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -283.552124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.552124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.552124 (E_RNA)
where:
Base-Base interactions energy: -183.676
where: short stacking energy: -85.371
Base-Backbone interact. energy: -0.001
local terms energy: -99.874689
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -284.066731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.066731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.066731 (E_RNA)
where:
Base-Base interactions energy: -194.834
where: short stacking energy: -84.960
Base-Backbone interact. energy: -0.004
local terms energy: -89.227928
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -261.346526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.346526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.346526 (E_RNA)
where:
Base-Base interactions energy: -183.699
where: short stacking energy: -73.128
Base-Backbone interact. energy: -0.668
local terms energy: -76.979612
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -269.151589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.151589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.151589 (E_RNA)
where:
Base-Base interactions energy: -175.958
where: short stacking energy: -76.552
Base-Backbone interact. energy: -0.008
local terms energy: -93.185632
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -25.001
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: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -244.789941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.789941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.789941 (E_RNA)
where:
Base-Base interactions energy: -158.385
where: short stacking energy: -73.498
Base-Backbone interact. energy: -0.057
local terms energy: -86.348095
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -20.341
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: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -242.901759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.901759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.901759 (E_RNA)
where:
Base-Base interactions energy: -158.997
where: short stacking energy: -71.151
Base-Backbone interact. energy: 0.320
local terms energy: -84.225053
where:
bonds (distance) C4'-P energy: -21.850
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -9.998
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: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -228.928303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.928303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.928303 (E_RNA)
where:
Base-Base interactions energy: -149.476
where: short stacking energy: -57.878
Base-Backbone interact. energy: -0.467
local terms energy: -78.985110
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -88.060303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.060303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.060303 (E_RNA)
where:
Base-Base interactions energy: -33.391
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.106
local terms energy: -54.563372
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -6.167
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: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -99.605094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.605094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.605094 (E_RNA)
where:
Base-Base interactions energy: -49.150
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.208
local terms energy: -50.247632
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -294.997481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.997481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.997481 (E_RNA)
where:
Base-Base interactions energy: -194.085
where: short stacking energy: -85.918
Base-Backbone interact. energy: -0.002
local terms energy: -100.911305
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -28.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -278.845886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.845886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.845886 (E_RNA)
where:
Base-Base interactions energy: -188.212
where: short stacking energy: -82.277
Base-Backbone interact. energy: -0.070
local terms energy: -90.564679
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -283.541753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.541753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.541753 (E_RNA)
where:
Base-Base interactions energy: -197.756
where: short stacking energy: -80.120
Base-Backbone interact. energy: 0.242
local terms energy: -86.027703
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -24.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -272.616805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.616805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.616805 (E_RNA)
where:
Base-Base interactions energy: -185.282
where: short stacking energy: -87.526
Base-Backbone interact. energy: -0.040
local terms energy: -87.294958
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -251.752279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.752279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.752279 (E_RNA)
where:
Base-Base interactions energy: -173.418
where: short stacking energy: -80.136
Base-Backbone interact. energy: 1.149
local terms energy: -79.482913
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -233.449756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.449756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.449756 (E_RNA)
where:
Base-Base interactions energy: -159.095
where: short stacking energy: -70.843
Base-Backbone interact. energy: -0.114
local terms energy: -74.240462
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -239.403203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.403203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.403203 (E_RNA)
where:
Base-Base interactions energy: -152.655
where: short stacking energy: -67.998
Base-Backbone interact. energy: -1.551
local terms energy: -85.197442
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -230.829380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.829380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.829380 (E_RNA)
where:
Base-Base interactions energy: -149.475
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.951
local terms energy: -80.403492
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -17.729
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: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -102.725255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.725255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.725255 (E_RNA)
where:
Base-Base interactions energy: -47.348
where: short stacking energy: -26.738
Base-Backbone interact. energy: 0.842
local terms energy: -56.219495
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: 2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -84.429355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.429355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.429355 (E_RNA)
where:
Base-Base interactions energy: -23.760
where: short stacking energy: -22.235
Base-Backbone interact. energy: -0.383
local terms energy: -60.286258
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -289.526315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.526315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.526315 (E_RNA)
where:
Base-Base interactions energy: -188.587
where: short stacking energy: -87.762
Base-Backbone interact. energy: -0.018
local terms energy: -100.921334
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -15.439
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: 492
Temperature: 0.950000
Total energy: -282.340772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.340772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.340772 (E_RNA)
where:
Base-Base interactions energy: -186.914
where: short stacking energy: -84.743
Base-Backbone interact. energy: -0.010
local terms energy: -95.417171
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -24.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -290.510539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.510539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.510539 (E_RNA)
where:
Base-Base interactions energy: -202.143
where: short stacking energy: -78.887
Base-Backbone interact. energy: 0.977
local terms energy: -89.344728
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -24.136
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: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -270.901424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.901424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.901424 (E_RNA)
where:
Base-Base interactions energy: -180.487
where: short stacking energy: -86.299
Base-Backbone interact. energy: 0.164
local terms energy: -90.577663
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -27.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -240.820414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.820414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.820414 (E_RNA)
where:
Base-Base interactions energy: -158.294
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.134
local terms energy: -82.392459
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -239.038583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.038583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.038583 (E_RNA)
where:
Base-Base interactions energy: -168.078
where: short stacking energy: -72.019
Base-Backbone interact. energy: -0.583
local terms energy: -70.377864
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -230.997699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.997699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.997699 (E_RNA)
where:
Base-Base interactions energy: -148.899
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.546
local terms energy: -81.551949
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -13.290
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: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -231.442305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.442305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.442305 (E_RNA)
where:
Base-Base interactions energy: -155.180
where: short stacking energy: -66.507
Base-Backbone interact. energy: 1.597
local terms energy: -77.858973
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -93.134598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.134598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.134598 (E_RNA)
where:
Base-Base interactions energy: -41.691
where: short stacking energy: -23.413
Base-Backbone interact. energy: -0.290
local terms energy: -51.154396
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -8.997
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: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -96.572670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.572670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.572670 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -34.201
Base-Backbone interact. energy: 1.867
local terms energy: -61.305366
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -7.347
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)
out arg RESULTS//1/15-Agno-O-0d337848_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -289.482923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.482923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.482923 (E_RNA)
where:
Base-Base interactions energy: -190.154
where: short stacking energy: -87.637
Base-Backbone interact. energy: -0.291
local terms energy: -99.037676
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -26.632
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: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -279.628680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.628680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.628680 (E_RNA)
where:
Base-Base interactions energy: -182.726
where: short stacking energy: -75.563
Base-Backbone interact. energy: -0.357
local terms energy: -96.546150
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -26.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -277.114796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.114796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.114796 (E_RNA)
where:
Base-Base interactions energy: -189.942
where: short stacking energy: -76.364
Base-Backbone interact. energy: -0.045
local terms energy: -87.128344
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -11.401
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: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -265.884311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.884311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.884311 (E_RNA)
where:
Base-Base interactions energy: -175.633
where: short stacking energy: -80.843
Base-Backbone interact. energy: -0.200
local terms energy: -90.051232
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -258.244051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.244051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.244051 (E_RNA)
where:
Base-Base interactions energy: -172.563
where: short stacking energy: -72.460
Base-Backbone interact. energy: -0.079
local terms energy: -85.602479
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -9.651
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: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -245.280408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.280408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.280408 (E_RNA)
where:
Base-Base interactions energy: -161.603
where: short stacking energy: -71.314
Base-Backbone interact. energy: -0.050
local terms energy: -83.627535
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -12.460
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: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -237.736723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.736723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.736723 (E_RNA)
where:
Base-Base interactions energy: -160.172
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.160
local terms energy: -77.404386
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -234.007903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.007903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.007903 (E_RNA)
where:
Base-Base interactions energy: -160.616
where: short stacking energy: -63.899
Base-Backbone interact. energy: -0.187
local terms energy: -73.204959
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -13.423
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: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -94.903826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.903826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.903826 (E_RNA)
where:
Base-Base interactions energy: -39.772
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.983
local terms energy: -54.148492
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: 0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -96.576540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.576540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.576540 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -18.687
Base-Backbone interact. energy: -0.066
local terms energy: -56.748538
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -11.474
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -292.540110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.540110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.540110 (E_RNA)
where:
Base-Base interactions energy: -198.186
where: short stacking energy: -95.305
Base-Backbone interact. energy: -0.017
local terms energy: -94.337310
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -26.191
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: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -282.298700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.298700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.298700 (E_RNA)
where:
Base-Base interactions energy: -183.638
where: short stacking energy: -79.655
Base-Backbone interact. energy: -0.113
local terms energy: -98.547597
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -25.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -284.187012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.187012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.187012 (E_RNA)
where:
Base-Base interactions energy: -192.736
where: short stacking energy: -79.088
Base-Backbone interact. energy: -0.003
local terms energy: -91.448175
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -26.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -282.633545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.633545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.633545 (E_RNA)
where:
Base-Base interactions energy: -191.370
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.005
local terms energy: -91.258883
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -260.268210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.268210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.268210 (E_RNA)
where:
Base-Base interactions energy: -175.934
where: short stacking energy: -66.538
Base-Backbone interact. energy: -0.087
local terms energy: -84.246781
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -246.987531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.987531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.987531 (E_RNA)
where:
Base-Base interactions energy: -172.827
where: short stacking energy: -78.143
Base-Backbone interact. energy: -0.012
local terms energy: -74.148654
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -8.716
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: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -208.938724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.938724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.938724 (E_RNA)
where:
Base-Base interactions energy: -135.049
where: short stacking energy: -66.942
Base-Backbone interact. energy: -1.559
local terms energy: -72.330269
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -16.171
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: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -224.935277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.935277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.935277 (E_RNA)
where:
Base-Base interactions energy: -160.829
where: short stacking energy: -63.895
Base-Backbone interact. energy: 3.291
local terms energy: -67.397257
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -15.044
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: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -95.779736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.779736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.779736 (E_RNA)
where:
Base-Base interactions energy: -29.037
where: short stacking energy: -29.037
Base-Backbone interact. energy: -0.722
local terms energy: -66.020833
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -90.229088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.229088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.229088 (E_RNA)
where:
Base-Base interactions energy: -40.642
where: short stacking energy: -36.921
Base-Backbone interact. energy: 0.482
local terms energy: -50.069517
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -2.264
tors. eta vs tors. theta energy: -4.606
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -292.128991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.128991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.128991 (E_RNA)
where:
Base-Base interactions energy: -200.004
where: short stacking energy: -95.203
Base-Backbone interact. energy: 0.478
local terms energy: -92.603368
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -14.797
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: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -297.440844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.440844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.440844 (E_RNA)
where:
Base-Base interactions energy: -197.715
where: short stacking energy: -82.758
Base-Backbone interact. energy: -0.096
local terms energy: -99.629956
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -24.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -275.026778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.026778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.026778 (E_RNA)
where:
Base-Base interactions energy: -190.606
where: short stacking energy: -78.363
Base-Backbone interact. energy: -0.107
local terms energy: -84.313882
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -268.209953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.209953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.209953 (E_RNA)
where:
Base-Base interactions energy: -175.213
where: short stacking energy: -80.735
Base-Backbone interact. energy: 0.105
local terms energy: -93.101461
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -267.199721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.199721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.199721 (E_RNA)
where:
Base-Base interactions energy: -184.917
where: short stacking energy: -83.710
Base-Backbone interact. energy: -0.181
local terms energy: -82.102163
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -7.508
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -266.627330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.627330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.627330 (E_RNA)
where:
Base-Base interactions energy: -188.061
where: short stacking energy: -80.548
Base-Backbone interact. energy: -0.003
local terms energy: -78.562914
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -8.723
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -6.461
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: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -228.099686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.099686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.099686 (E_RNA)
where:
Base-Base interactions energy: -157.352
where: short stacking energy: -62.189
Base-Backbone interact. energy: -0.050
local terms energy: -70.697859
where:
bonds (distance) C4'-P energy: -6.449
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -229.836420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.836420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.836420 (E_RNA)
where:
Base-Base interactions energy: -151.366
where: short stacking energy: -63.530
Base-Backbone interact. energy: -0.105
local terms energy: -78.365730
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -98.285728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.285728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.285728 (E_RNA)
where:
Base-Base interactions energy: -34.207
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.401
local terms energy: -63.678071
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -82.987693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987693 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -24.693
Base-Backbone interact. energy: -0.421
local terms energy: -50.345655
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: 3.244
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -295.743022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.743022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.743022 (E_RNA)
where:
Base-Base interactions energy: -205.346
where: short stacking energy: -86.637
Base-Backbone interact. energy: 0.623
local terms energy: -91.020209
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -292.104155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.104155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.104155 (E_RNA)
where:
Base-Base interactions energy: -202.300
where: short stacking energy: -87.956
Base-Backbone interact. energy: 0.105
local terms energy: -89.908555
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -283.940924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.940924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.940924 (E_RNA)
where:
Base-Base interactions energy: -192.501
where: short stacking energy: -88.345
Base-Backbone interact. energy: -0.002
local terms energy: -91.437980
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -14.684
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: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -284.513467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.513467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.513467 (E_RNA)
where:
Base-Base interactions energy: -200.973
where: short stacking energy: -91.632
Base-Backbone interact. energy: -0.106
local terms energy: -83.434584
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -14.949
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: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -266.115669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.115669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.115669 (E_RNA)
where:
Base-Base interactions energy: -179.820
where: short stacking energy: -74.293
Base-Backbone interact. energy: -0.335
local terms energy: -85.960457
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -263.059985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.059985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.059985 (E_RNA)
where:
Base-Base interactions energy: -183.881
where: short stacking energy: -76.055
Base-Backbone interact. energy: -0.114
local terms energy: -79.064526
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -12.988
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: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -232.403749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.403749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.403749 (E_RNA)
where:
Base-Base interactions energy: -163.860
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.208
local terms energy: -68.335558
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -254.524537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.524537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.524537 (E_RNA)
where:
Base-Base interactions energy: -175.331
where: short stacking energy: -74.801
Base-Backbone interact. energy: -0.014
local terms energy: -79.179096
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -101.490954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.490954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.490954 (E_RNA)
where:
Base-Base interactions energy: -47.223
where: short stacking energy: -38.021
Base-Backbone interact. energy: -0.145
local terms energy: -54.122488
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -2.074
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: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -90.717886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.717886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.717886 (E_RNA)
where:
Base-Base interactions energy: -36.532
where: short stacking energy: -33.117
Base-Backbone interact. energy: -0.504
local terms energy: -53.681164
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)